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2H-1-Benzopyran-2,4(3H)-dione, 3-methyl-3-[(methylthio)methyl]-
SpectraBase Compound ID 5Ral6STJXH3
InChI InChI=1S/C12H12O3S/c1-12(7-16-2)10(13)8-5-3-4-6-9(8)15-11(12)14/h3-6H,7H2,1-2H3
InChIKey WFFPWIFMFUYQMP-UHFFFAOYSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K5LJeLhgMf
Name 2H-1-Benzopyran-2,4(3H)-dione, 3-methyl-3-[(methylthio)methyl]-
Alternate Name(s) 3-Methyl-3-methylthiomethyl-2,3-dihydro-2H-benzo[b]pyran-2,4-dione 3-Methyl-3-[(methylsulfanyl)methyl]-2H-chromene-2,4(3H)-dione
CAS Registry Number 127970-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-12(7-16-2)10(13)8-5-3-4-6-9(8)15-11(12)14/h3-6H,7H2,1-2H3
InChIKey WFFPWIFMFUYQMP-UHFFFAOYSA-N
Molecular Weight 236.285 g/mol
SMILES C1(C(Oc2c(C1=O)cccc2)=O)(CSC)C
SPLASH splash10-014r-4920000000-e760032094dca7bffcbd
Source of Spectrum KC-1989-2308-11
Wiley ID 1237786