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12341

Sigma-Aldrich

Nonatriacontane

≥90.0% (GC)

Synonym(s):

n-Nonatriacontane

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About This Item

Linear Formula:
CH3(CH2)37CH3
CAS Number:
7194-86-7
Molecular Weight:
549.05
Beilstein:
1714035
MDL number:
MFCD00210073
UNSPSC Code:
12352100
PubChem Substance ID:
329749712
NACRES:
NA.22

Assay

≥90.0% (GC)

mp

78-82 °C

SMILES string

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

InChI key

SNXOSZZZNFRFNZ-UHFFFAOYSA-N

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General description

Thickness of single crystal of nonatriacontane is 45 ± 10 A°.

Application

Nonatriacontane was used to develop a new peak alignment algorithm named distance and spectrum correlation optimization (DISCO) method to align two-dimensional gas chromatography time-of-flight mass spectrometry data for metabolomics.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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c= J'Peter Sullivan
Wunderlich B.
Reproduction (Cambridge, England) (1963)
Bing Wang et al.
Analytical chemistry, 82(12), 5069-5081 (2010-05-19)
A novel peak alignment algorithm using a distance and spectrum correlation optimization (DISCO) method has been developed for two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC/TOF-MS)-based metabolomics. This algorithm uses the output of the instrument control software, ChromaTOF, as its input

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