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elaidic acid, ethyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 14 MS (GC)

elaidic acid, ethyl ester
SpectraBase Compound ID 8Gb1WJtwKEt
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
InChIKey LVGKNOAMLMIIKO-VAWYXSNFSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwBhmgVr8sM
Name 9-OCTADECENOIC ACID, ETHYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
InChIKey LVGKNOAMLMIIKO-VAWYXSNFSA-N
Molecular Weight 310.522 g/mol
Nominal Mass 310 u
Number of Peaks 157
SMILES C(CCCCC\C=C\CCCCCCCC(OCC)=O)CC
SPLASH splash10-05nf-9200000000-c15e366b57814f10bcde
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000227