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S-Phenyl 4-methyl-3-pentenethioate
SpectraBase Compound ID CH6BEEDpjZI
InChI InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey BUTWIHUHJUAXAB-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVwP6sXNyEb
Name S-Phenyl 4-methyl-3-pentenethioate
Alternate Name(s) Phenylthio 4-methylpent-3-enoate 4-Methyl-3-pentenethioic acid S-phenyl ester S-phenyl 4-methylpent-3-enethioate
CAS Registry Number 102496-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey BUTWIHUHJUAXAB-UHFFFAOYSA-N
Molecular Weight 206.303 g/mol
SMILES c1(ccccc1)SC(CC=C(C)C)=O
SPLASH splash10-014l-9100000000-3aafb14e7f9771939919
Source of Spectrum NP-4-4423-0
Wiley ID 1103940