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NNDRQBDSBYYDAG-NTMALXAHSA-N
SpectraBase Compound ID IbcisqS94LO
InChI InChI=1S/C11H12O2S/c1-2-13-11(14)8-10(12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKey NNDRQBDSBYYDAG-NTMALXAHSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3pGwCf7Wg0
Name O-Ethyl(benzoyl)thioacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-2-13-11(14)8-10(12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKey NNDRQBDSBYYDAG-NTMALXAHSA-N
Molecular Weight 208.275 g/mol
SMILES O\C(=C/C(=S)OCC)c1ccccc1
SPLASH splash10-0a59-3920000000-9482950bda7f88506985
Source of Spectrum CV-0-333-2
Synonyms O-ethyl (2Z)-3-hydroxy-3-phenyl-2-propenethioate
Wiley ID 849028