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Details of Hexanoic acid methyl ester, n-

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Role Analyte
nameHexanoic acid methyl ester, n-
MPIMP IDA000435
isotopomerambient
formulaC7H14O2
molecular mass130.185
monoisotopic mass130.09938
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKeyNUKZAGXMHTUAFE-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36) 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%276c8dece4-4a73-4173-b4e6-af3917dd12ec%27)

Synonyms of Hexanoic acid methyl ester, n-

propertyvalue
BRENDA24406
CAS106-70-7
ChemSpider ID7536
PubChem CID7824
PubChem SID92297539
synonymHexanoic acid methyl ester
synonymHexanoic acid methyl ester, n-
synonymHexanoic acid, methyl ester
8 synonym(s)

Metabolite mapped to Hexanoic acid methyl ester, n-

Reference spectra of Hexanoic acid methyl ester, n-

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 5/21/2012 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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