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Details of Heneicosane, n-

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Role Analyte
nameHeneicosane, n-
MPIMP IDA210012
isotopomerambient
formulaC21H44
molecular mass296.575
monoisotopic mass296.34430
InChIInChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyFNAZRRHPUDJQCJ-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,102.8
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b7a5af88-f060-4fe0-a7d6-bf2a0d9cc72e%27)

Synonyms of Heneicosane, n-

propertyvalue
CAS629-94-7
ChEBI IDChEBI:32931
ChEBI ontologyis a alkane
ChemSpider ID11897
MetaCycCPD-7935
PubChem CID12403
PubChem SID92297523
synonymCH3-[CH2]19-CH3
synonymheneicosane
synonymHeneicosane, n-
12 synonym(s)
    of 2    

Metabolite mapped to Heneicosane, n-

Reference spectra of Heneicosane, n-

replicaentry datedetectionmethodspecies
11/25/2005 12:00:00 AM M[MOR] 
25/12/2005 12:00:00 AM M[NIST] 
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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