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Benzene, [(3-methyl-1,3-butadienyl)thio]-
SpectraBase Compound ID iYT7HjHOlD
InChI InChI=1S/C11H12S/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-9H,1H2,2H3/b9-8+
InChIKey MMZIWXUQFASYBT-CMDGGOBGSA-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 7y5SEfWDVfb
Name Benzene, [(3-methyl-1,3-butadienyl)thio]-
Alternate Name(s) ([(1E)-3-Methyl-1,3-butadienyl]sulfanyl)benzene [(1E)-3-methylbuta-1,3-dienyl]sulfanylbenzene [[(1E)-3-methylbuta-1,3-dienyl]thio]benzene
CAS Registry Number 53097-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-9H,1H2,2H3/b9-8+
InChIKey MMZIWXUQFASYBT-CMDGGOBGSA-N
Molecular Weight 176.277 g/mol
SMILES CC(=C)\C=C\Sc1ccccc1
SPLASH splash10-0002-9400000000-2fa76d780f982c761587
Source of Spectrum T-67-2107-0
Wiley ID 1172526