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2-phenylethanethioic acid S-methyl ester
SpectraBase Compound ID Dpqn5D2q2JB
InChI InChI=1S/C9H10OS/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey JZYDYNRKODRXIC-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Db1xqr8ln1
Name 2-Phenylethanethioic acid S-methyl ester
Alternate Name(s) Benzeneethanethioic acid, S-methyl ester Acetic acid, phenylthio-, S-methyl ester Methyl phenylthioacetate Methyl phenylthiolacetate S-Methyl phenylethanethioate S-methyl 2-phenylethanethioate
CAS Registry Number 5925-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey JZYDYNRKODRXIC-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES C(=O)(Cc1ccccc1)SC
SPLASH splash10-014l-4900000000-4775fc17a71b527f65ea
Source of Spectrum F-54-9076-27
Wiley ID 808115