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Oleic acid, propyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Oleic acid, propyl ester
SpectraBase Compound ID I1683QjAFvb
InChI InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11+
InChIKey BVWMJLIIGRDFEI-VAWYXSNFSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GKAPEolVI
Name Oleic acid, propyl ester
CAS Registry Number 111-59-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11+
InChIKey BVWMJLIIGRDFEI-VAWYXSNFSA-N
Molecular Weight 324.549 g/mol
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCCC
SPLASH splash10-05mo-9200000000-4335d20b33ce818cb69c
Source of Spectrum PG-1982-1772-0
Synonyms (E)-9-octadecenoic acid propyl ester (E)-octadec-9-enoic acid propyl ester Propyl (E)-octadec-9-enoate
Wiley ID 1323650