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Heptadecanoic acid methyl ester

View entire compound with spectra: 3 NMR, 5 FTIR, and 32 MS (GC)

Heptadecanoic acid methyl ester
SpectraBase Compound ID EoqqEuGxAEF
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CWuTY61vFe
Name Heptadecanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.201900588
SMILES COC(=O)CCCCCCCCCCCCCCCC
SPLASH splash10-00du-9000000000-f6ca871bb4c76685d661
Source of Spectrum CBD-17-SM14-17:0
Wiley ID 1855844