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Details of Hexadecane, n-

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Role Analyte
nameHexadecane, n-
MPIMP IDA160011
isotopomerambient
formulaC16H34
molecular mass226.442
monoisotopic mass226.26605
InChIInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyDCAYPVUWAIABOU-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,596.47
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2792cce1c0-5d9d-473e-b73a-30a31961d26a%27)

Synonyms of Hexadecane, n-

propertyvalue
BRENDA7506
CAS544-76-3
ChEBI IDChEBI:45296
ChEBI ontologyis a alkane
ChemSpider ID10540
MetaCycCPD-8509
PubChem CID11006
PubChem SID92297477
synonymCetan
synonymcetane
17 synonym(s)
    of 2    

Metabolite mapped to Hexadecane, n-

Reference spectra of Hexadecane, n-

replicaentry datedetectionmethodspecies
111/26/2004 12:00:00 AM M[FAME4090]Standard
21/25/2005 12:00:00 AM M[MOR] 
2 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 Strehmel N., Hummel J.
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