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Details of Tetradecanoic acid, 12-methyl-, methyl ester

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Role Analyte
nameTetradecanoic acid, 12-methyl-, methyl ester
MPIMP IDA180015
isotopomerambient
formulaC16H32O2
molecular mass256.425
monoisotopic mass256.24023
InChIInChI=1S/C16H32O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3
InChIKeyBJIUDNXPLSJWKE-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)1,795.17
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27603c4204-5070-4b02-a335-979c7d4bcf69%27)

Synonyms of Tetradecanoic acid, 12-methyl-, methyl ester

propertyvalue
CAS5129-66-8
ChemSpider ID19938
Method [J Kopka]Methylation
PubChem CID21206
PubChem SID92298514
synonym12MethylC14acidMeO
synonymTetradecanoic acid, 12-methyl-, methyl ester
7 synonym(s)

Metabolite mapped to Tetradecanoic acid, 12-methyl-, methyl ester

Reference spectra of Tetradecanoic acid, 12-methyl-, methyl ester

replicaentry datedetectionmethodspecies
211/3/2010 4:23:43 PM Schomburg_GC_2010 
12/22/2005 12:00:00 AM M[STR] 
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 8/11/2011 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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