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Details of Heptane, n-

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Role Analyte
nameHeptane, n-
MPIMP IDA000423
isotopomerambient
formulaC7H16
molecular mass100.202
monoisotopic mass100.12520
InChIInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36) 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270b6adf63-5fa0-48f8-a722-5b3a5a9f487b%27)

Synonyms of Heptane, n-

propertyvalue
CAS142-82-5
ChemSpider ID8560
MetaCycCPD-9286
synonymHeptane
synonymn-Heptane
5 synonym(s)

Metabolite mapped to Heptane, n-

metabolitestereoisomerisotopomer
Heptanen- ambient
1 metabolite(s)

Reference spectra of Heptane, n-

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
1 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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