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Details of Heptacosanoic acid methyl ester, n-

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Role Analyte
nameHeptacosanoic acid methyl ester, n-
MPIMP IDA304005
isotopomerambient
formulaC28H56O2
molecular mass424.744
monoisotopic mass424.42803
InChIInChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-2/h3-27H2,1-2H3
InChIKeySCVPLVIKFSVDDH-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)3,028.36
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2781c7b9db-5995-4f52-aab0-484c04d6500b%27)

Synonyms of Heptacosanoic acid methyl ester, n-

propertyvalue
CAS55682-91-2
ChemSpider ID37881
Method [J Kopka]Methylation
PubChem CID41517
PubChem SID92297797
synonymHeptacosanoic acid methyl ester
synonymHeptacosanoic acid methyl ester, n-
7 synonym(s)

Metabolite mapped to Heptacosanoic acid methyl ester, n-

Reference spectra of Heptacosanoic acid methyl ester, n-

replicaentry datedetectionmethodspecies
12/22/2005 12:00:00 AM M[STR] 
25/12/2005 12:00:00 AM M[NIST] 
32/22/2005 12:00:00 AM M[STR] 
3 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 8/11/2011 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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