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3-Benzyl-3-methyl-2(3H)-thiophenone
SpectraBase Compound ID 7f9mGirYGYi
InChI InChI=1S/C12H12OS/c1-12(7-8-14-11(12)13)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey YZWMVNFXRKWTCX-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C12H12OS
Exact Mass 204.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vbPzc1iqhg
Name 3-Benzyl-3-methyl-2(3H)-thiophenone
CAS Registry Number 142396-79-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12OS
InChI InChI=1S/C12H12OS/c1-12(7-8-14-11(12)13)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey YZWMVNFXRKWTCX-UHFFFAOYSA-N
Molecular Weight 204.287 g/mol
SMILES C1(C(C=CS1)(Cc1ccccc1)C)=O
SPLASH splash10-0006-9010000000-f626d31cfef91f867024
Source of Spectrum K-125-2315-8
Wiley ID 1201781