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2-(Phenylthiomethyl)1,3-butadiene
SpectraBase Compound ID BEaf92leHo5
InChI InChI=1S/C11H12S/c1-3-10(2)9-12-11-7-5-4-6-8-11/h3-8H,1-2,9H2
InChIKey ZKLPUFRKDPIIKQ-UHFFFAOYSA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLExM0ifpCW
Name 2-(Phenylthiomethyl)1,3-butadiene
Alternate Name(s) 2-Methylene-3-butenyl phenyl sulfide [(2-methylene-3-butenyl)sulfanyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-3-10(2)9-12-11-7-5-4-6-8-11/h3-8H,1-2,9H2
InChIKey ZKLPUFRKDPIIKQ-UHFFFAOYSA-N
Molecular Weight 176.277 g/mol
SMILES C(C=C)(=C)CSc1ccccc1
SPLASH splash10-00ou-9800000000-f69307c09bde9b63d281
Source of Spectrum F-50-5840-6
Wiley ID 1172554