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13-OXO-9-(E),11-(E)-OCTADECDIENOIC_ACID

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

13-OXO-9-(E),11-(E)-OCTADECDIENOIC_ACID
SpectraBase Compound ID 8dM7M5hGHzY
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
InChIKey JHXAZBBVQSRKJR-KDFHGORWSA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SEn0EU5R6y
Name (9E,11E)-13-ketooctadeca-9,11-dienoic acid
Alternate Name(s) (9E,11E)-13-oxidanylideneoctadeca-9,11-dienoic acid (9E,11E)-13-oxooctadeca-9,11-dienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
InChIKey JHXAZBBVQSRKJR-KDFHGORWSA-N
Molecular Weight 294.435 g/mol
SMILES OC(=O)CCCCCCC\C=C\C=C\C(=O)CCCCC
SPLASH splash10-0uea-9460000000-6ee4945488c795337f9d
Source of Spectrum E1-44-1661-4
Wiley ID 1553544