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Benzenecarbothioic acid, S-[3-(acetyloxy)-1-propenyl]ester, (E)-
SpectraBase Compound ID HaTdlxcdPkC
InChI InChI=1S/C12H12O3S/c1-10(13)15-8-5-9-16-12(14)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKey HFFDGFALGLTPLM-WEVVVXLNSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DN5CZFSNKGY
Name Benzenecarbothioic acid, S-[3-(acetyloxy)-1-propenyl]ester, (E)-
CAS Registry Number 117157-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-10(13)15-8-5-9-16-12(14)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKey HFFDGFALGLTPLM-WEVVVXLNSA-N
Molecular Weight 236.285 g/mol
SMILES C(=O)(S\C=C\COC(=O)C)c1ccccc1
SPLASH splash10-0a4i-0900000000-bfec68dd05064bdf6f91
Source of Spectrum KC-1988-580-4
Synonyms (2E)-3-(benzoylsulfanyl)-2-propenyl acetate (E)-3-Thiobenzoylallyl acetate
Wiley ID 1237783