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3-METHYLTHIOCHROMAN-4-ONE, 1-OXIDE
SpectraBase Compound ID DEzmSXVsEwt
InChI InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKey LGEMGPGNKMFLDE-UHFFFAOYSA-N
Mol Weight 194.25 g/mol
Molecular Formula C10H10O2S
Exact Mass 194.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPZvx2YNy9g
Name 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1-oxide
Alternate Name(s) Thiochroman-4-one, 3-methyl-, 1-oxide 3-Methyl-2,3-dihydro-4H-thiochromen-4-one 1-oxide 1-keto-3-methyl-2,3-dihydrothiochromen-4-one 3-Methyl-1-oxidanylidene-2,3-dihydrothiochromen-4-one 3-Methyl-1-oxo-2,3-dihydro-1-benzothiopyran-4-one 3-Methyl-1-oxo-2,3-dihydrothiochromen-4-one
CAS Registry Number 29373-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2S
InChI InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKey LGEMGPGNKMFLDE-UHFFFAOYSA-N
Molecular Weight 194.248 g/mol
SMILES CC1CS(c2ccccc2C1=O)=O
SPLASH splash10-0udi-3900000000-9ac11a2c41e792cee9d6
Source of Spectrum O-3-903-2
Wiley ID 21645