12341
Nonatriacontane
≥90.0% (GC)
Synonym(s):
n-Nonatriacontane
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About This Item
Linear Formula:
CH3(CH2)37CH3
CAS Number:
Molecular Weight:
549.05
Beilstein:
1714035
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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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