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Ethanethioic acid S-phenethyl ester
SpectraBase Compound ID 1K9hVOD3NCA
InChI InChI=1S/C10H12OS/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey QULCAFZRLWHXMB-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgcmfIXLGCJ
Name Ethanethioic acid S-phenethyl ester
CAS Registry Number 35065-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey QULCAFZRLWHXMB-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(=O)(SCCc1ccccc1)C
SPLASH splash10-0f6x-9500000000-c48216e50ea96c21cd9c
Source of Spectrum I-62-614-0
Synonyms S-(2-phenylethyl) ethanethioate S-phenethyl ethanethioate
Wiley ID 1176054