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(1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl acetate

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(1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl acetate
SpectraBase Compound ID j33O0qHog9
InChI InChI=1S/C12H12O2S/c1-11(13)14-9-5-6-10-15-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey VJUCZJTYEUCAJW-NXZHAISVSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eiqXGElvPG
Name (1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl acetate
Alternate Name(s) [(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl] acetate [(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl] ethanoate
CAS Registry Number 67700-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-11(13)14-9-5-6-10-15-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey VJUCZJTYEUCAJW-NXZHAISVSA-N
Molecular Weight 220.286 g/mol
SMILES C(=O)(O\C=C\C=C\Sc1ccccc1)C
SPLASH splash10-02bf-8900000000-b1c1834ff6b52fd38fcf
Source of Spectrum J-43-4562-0
Wiley ID 1219625