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(S)-(Z)-(+)-Pentacos-10-en-9-yl acetate
SpectraBase Compound ID 1nKdM83m9xr
InChI InChI=1S/C27H52O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h23,25,27H,4-22,24H2,1-3H3/b25-23-/t27-/m0/s1
InChIKey XMCWHFWEEZYPPA-CRCBRLRVSA-N
Mol Weight 408.7 g/mol
Molecular Formula C27H52O2
Exact Mass 408.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ygD1fBpEIY
Name (S)-(Z)-(+)-Pentacos-10-en-9-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O2
InChI InChI=1S/C27H52O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h23,25,27H,4-22,24H2,1-3H3/b25-23-/t27-/m0/s1
InChIKey XMCWHFWEEZYPPA-CRCBRLRVSA-N
Molecular Weight 408.711 g/mol
SMILES C(=O)(O[C@](\C=C/CCCCCCCCCCCCCC)(CCCCCCCC)[H])C
SPLASH splash10-0gb9-0892000000-82daa3e0a8058edb22d4
Source of Spectrum F-68-3748-25
Synonyms (1S,2Z)-1-octyl-2-heptadecenyl acetate Acetic acid[(Z,1S)-1-octylheptadec-2-enyl]ester Acetic acid[(Z,9S)-pentacos-10-en-9-yl]ester [(Z,1S)-1-octylheptadec-2-enyl]acetate [(Z,9S)-pentacos-10-en-9-yl]acetate [(Z,9S)-pentacos-10-en-9-yl]ethanoate Acetic acid [(Z,9S)-pentacos-10-en-9-yl] ester [(Z,9S)-pentacos-10-en-9-yl] acetate [(Z,1S)-1-octylheptadec-2-enyl] acetate [(Z,9S)-pentacos-10-en-9-yl] ethanoate
Wiley ID 1572528