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5-Hexenoic acid, 6-[2-(1-octenyl)phenyl]-, methyl ester, (Z,Z)-
SpectraBase Compound ID 71mXaorDVrp
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-9-14-19-16-12-13-17-20(19)15-10-8-11-18-21(22)23-2/h9-10,12-17H,3-8,11,18H2,1-2H3/b14-9-,15-10-
InChIKey DRRCXIVTTCMFTC-TYPNBTCFSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3xGniPWXqi
Name 5-Hexenoic acid, 6-[2-(1-octenyl)phenyl]-, methyl ester, (Z,Z)-
Alternate Name(s) (Z)-Methyl6-{2-[(Z)-oct-1-enyl]phenyl}hex-5-enoate Methyl (5Z)-6-{2-[(1Z)-1-octenyl]phenyl}-5-hexenoate (Z)-6-[2-[(Z)-oct-1-enyl]phenyl]-5-hexenoic acid methyl ester Methyl (Z)-6-[2-[(Z)-oct-1-enyl]phenyl]hex-5-enoate
CAS Registry Number 107586-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-9-14-19-16-12-13-17-20(19)15-10-8-11-18-21(22)23-2/h9-10,12-17H,3-8,11,18H2,1-2H3/b14-9-,15-10-
InChIKey DRRCXIVTTCMFTC-TYPNBTCFSA-N
Molecular Weight 314.469 g/mol
SMILES C(=O)(OC)CCC\C=C/c1c(\C=C/CCCCCC)cccc1
SPLASH splash10-004i-0900000000-c4428ac6596ba897e451
Source of Spectrum KC-1989-482-27
Wiley ID 1315607