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12-Oxooctadec-9-enoic acid

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

12-Oxooctadec-9-enoic acid
SpectraBase Compound ID HTBKRjdNUU0
InChI InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
InChIKey QHEOVCWNVASAFS-FMIVXFBMSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf9MTach7uL
Name 12-Oxooctadec-9-enoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
InChIKey QHEOVCWNVASAFS-FMIVXFBMSA-N
Molecular Weight 296.451 g/mol
SMILES OC(=O)CCCCCCC\C=C\CC(=O)CCCCCC
SPLASH splash10-03di-3900000000-3d752ec8d78fc226de4e
Source of Spectrum U-1993-648-3
Synonyms (E)-12-ketooctadec-9-enoic acid (E)-12-oxidanylideneoctadec-9-enoic acid (E)-12-oxo-9-octadecenoic acid (E)-12-oxooctadec-9-enoic acid
Wiley ID 764958