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2,3-DIHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-4H-1-BENZOTHIOPYRAN-4-ONE
SpectraBase Compound ID d0vnvoFaJi
InChI InChI=1S/C13H16O3S/c1-13(2)7-9(14)8-5-10(15-3)11(16-4)6-12(8)17-13/h5-6H,7H2,1-4H3
InChIKey HLUIYSPLGKOKJD-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqzfOYgHBaW
Name 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl-
CAS Registry Number 86778-09-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-13(2)7-9(14)8-5-10(15-3)11(16-4)6-12(8)17-13/h5-6H,7H2,1-4H3
InChIKey HLUIYSPLGKOKJD-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES c12c(SC(CC2=O)(C)C)cc(c(c1)OC)OC
SPLASH splash10-0002-0910000000-87838c972fc5352958fe
Source of Spectrum Y-20-1116-0
Synonyms 2,3-Dihydro-6,7-dimethoxy-2,2-dimethyl-4H-1-benzothiopyran-4-one 6,7-dimethoxy-2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 6,7-dimethoxy-2,2-dimethyl-3H-1-benzothiopyran-4-one 6,7-dimethoxy-2,2-dimethyl-3H-thiochromen-4-one
Wiley ID 1255298