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(E)-12-ketoheptacos-9-enoic acid
SpectraBase Compound ID 2lW48PoHpqo
InChI InChI=1S/C27H50O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26(28)24-21-18-15-12-13-16-19-22-25-27(29)30/h18,21H,2-17,19-20,22-25H2,1H3,(H,29,30)/b21-18+
InChIKey WNHNAEHTIJVGBE-DYTRJAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H50O3
Exact Mass 422.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lu7d1vuTF3N
Name (E)-12-ketoheptacos-9-enoic acid
Alternate Name(s) (E)-12-oxidanylideneheptacos-9-enoic acid (E)-12-oxo-9-heptacosenoic acid (E)-12-oxoheptacos-9-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O3
InChI InChI=1S/C27H50O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26(28)24-21-18-15-12-13-16-19-22-25-27(29)30/h18,21H,2-17,19-20,22-25H2,1H3,(H,29,30)/b21-18+
InChIKey WNHNAEHTIJVGBE-DYTRJAOYSA-N
Molecular Weight 422.694 g/mol
SMILES OC(CCCCCCC\C=C\CC(CCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0a4r-9160100000-b39817be92060632de67
Source of Spectrum U-1993-648-3
Wiley ID 764957