[Skip to Content](https://www.sigmaaldrich.com#main-content) [](https://www.sigmaaldrich.com/US/en) Products Cart0 USEN Products ProductsApplicationsServicesResourcesSupport [Login / Register](https://www.sigmaaldrich.com/oidc-sign-in) [Order Lookup](https://www.sigmaaldrich.com/US/en/order-lookup) [Quick Order](https://www.sigmaaldrich.com/US/en/quick-order) Cart0 [Home](https://www.sigmaaldrich.com/US/en)[Nuclear Magnetic Resonance (NMR)](https://www.sigmaaldrich.com/US/en/applications/analytical-chemistry/nuclear-magnetic-resonance)NMR Deuterated Solvent Properties Reference Chart # NMR Deuterated Solvent Properties Reference Chart __Section Overview__ - [Common Solvent Peak Coupling and Chemical Shift Values](https://www.sigmaaldrich.com#solvent) - [NMR Solvents Reference Data](https://www.sigmaaldrich.com#nmr) - [Related Materials](https://www.sigmaaldrich.com#materials) ## [](https://www.sigmaaldrich.com)Common Solvent Peak Coupling and Chemical Shift Values Use the chart below to look up the coupling values — JHD and JCD(JCF) distance between multiplet peaks in hertz (Hz) — and chemical shift delta values — ðH(Mult)b and ðc(Mult)b in parts per million (ppm) — of NMR solvents by name or CAS number. Molecular weight, density (25 °C), melting point (mp), and boiling point (bp) are also given. ## [](https://www.sigmaaldrich.com)NMR Solvents Reference Data NMR SolventCAS. No.Mol. wtDensity (25 °C)MP (°C)aBP (°C)aðH (Mult)bJHDðC (Mult)bJCD (JCF) Acetic acid-d4 [151785](https://www.sigmaaldrich.com/US/en/product/aldrich/151785)   1186-52-364.081.11915-16115.511.53 (1) 178.4 (br)  2.03 (5)220.0 (7)20 Acetone- d6 [151793](https://www.sigmaaldrich.com/US/en/product/aldrich/151793)666-52-464.120.872-93.855.5  206.0 (13)0.9 2.04 (5)2.229.8 (7)20 Aceto- nitrile-d3 [151807](https://www.sigmaaldrich.com/US/en/product/aldrich/151807)2206-26-044.070.844-4880.7  118.2 (br)  1.93 (5)2.51.3 (7)21 Benzene- d6 [151815](https://www.sigmaaldrich.com/US/en/product/aldrich/151815)1076-43-384.150.9506.879.17.15 (br) 128.0 (3)24 Chloro-form-d CDCL3 [151823](https://www.sigmaaldrich.com/US/en/product/aldrich/151823) 865-49-6120.381.500-6460.97.24 (1) 77.0 (3)32 Cyclo-hexane- d12 [151866](https://www.sigmaaldrich.com/US/en/product/aldrich/151866)1735-17-796.230.8934-780.71.38 (br) 26.4 (5)19 Deuterium oxide HDO 151882 7789-20-020.031.1073.8101.44.84 (DSS)    4.81 (TSP)    Dichloro- methane-d2 DCM [444324](https://www.sigmaaldrich.com/US/en/product/aldrich/444324) 1665-00-586.941.362-97405.32 (3)153.8 (5)27 N,N-Dimethyl- formamide-d7 DMF [189979](https://www.sigmaaldrich.com/US/en/product/aldrich/189979) 4472-41-780.141.030-611538.01 (br) 162.7 (3)30 2.91 (5)235.2 (7)21 2.74 (5)230.1 (7)21 Dimethyl sulfoxide-d6 DMSO [151874](https://www.sigmaaldrich.com/US/en/product/aldrich/151874) 2206-27-184.171.19016-191892.49 (5)1.739.5 (7)21 1,4-Dioxane- d8 [186406](https://www.sigmaaldrich.com/US/en/product/aldrich/186406)17647-74-496.151.12910-12993.53 (m) 66.5 (5)22 Ethanol- d6 [186414](https://www.sigmaaldrich.com/US/en/product/aldrich/186414)1516-08-152.110.892-114785.19 (1)    3.55 (br) 56.8 (5)22 1.11 (m) 17.2 (7)19 Methanol-d4 MEOD [151947](https://www.sigmaaldrich.com/US/en/product/aldrich/151947) 811-98-336.070.888-9865.44.89 (1) 49.0 (7)21.4 3.30 (5)1.7   2-Propanol-d8 [175897](https://www.sigmaaldrich.com/US/en/product/aldrich/175897)  22739-76-068.140.890-89.5825.12 (1)    3.89 (br) 62.9 (3)21.5 Pyridine- d5 [532975](https://www.sigmaaldrich.com/US/en/product/aldrich/532975)  7291-22-784.131.050-42114.48.71 (br) 149.9 (3)27.5 7.55 (br) 135.5 (3)24.5 7.19 (br) 123.5 (3)25 Tetra-hydro-furan-d8 THF [184314](https://www.sigmaaldrich.com/US/en/product/aldrich/184314) 1693-74-980.160.985-10665-663.58 (br) 67.4 (5)22 1.73 (br) 25.3 (br)20.5 Toluene-d8 [434388](https://www.sigmaaldrich.com/US/en/product/aldrich/434388)2037-26-5100.190.943-93110  137.5 (1)  7.09 (m) 128.9 (3)23 7.00 (br) 128.0 (3)24 6.98 (m) 125.2 (3)24 2.09 (5)2.320.4 (7)19 Trifluoro- acetic acid-d TFA [152005](https://www.sigmaaldrich.com/US/en/product/aldrich/152005) 599-00-8115.031.493-15.47511.50 (1) 164.2 (4)(44)   116.6 (4)(283) 2,2,2-Trifluoro- ethanol-d3 [396532](https://www.sigmaaldrich.com/US/en/product/aldrich/396532)77253-67-9103.061.415-4477-805.02 (1) 126.3 (4)(277) 3.88 (4 x 3)2 (9)61.5 (4 x 5)22 (36) a Melting and boiling points (in °C) are those of the corresponding natural abundance compound (except for D2O) and are intended only to indicate the useful liquid range of the materials. b The multiplicity “br” indicates a broad peak without resolvable fine structure, while “m” denotes a broad peak with fine structure. ## Related Materials Sorry, an unexpected error has occurred Response not successful: Received status code 500 __Related Articles__ - 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