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2-methyl-3-methylol-thiochromen-4-one
SpectraBase Compound ID Gl2BNLRwOZH
InChI InChI=1S/C11H10O2S/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5,12H,6H2,1H3
InChIKey CRMJVVWCJTZHCH-UHFFFAOYSA-N
Mol Weight 206.26 g/mol
Molecular Formula C11H10O2S
Exact Mass 206.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjASp2US0Il
Name 2-methyl-3-methylol-thiochromen-4-one
CAS Registry Number 29080-55-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O2S
InChI InChI=1S/C11H10O2S/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5,12H,6H2,1H3
InChIKey CRMJVVWCJTZHCH-UHFFFAOYSA-N
Molecular Weight 206.259 g/mol
SMILES OCC=1C(=O)c2c(cccc2)SC1C
SPLASH splash10-0a4r-0960000000-8ca4ebb31d83f5962973
Source of Spectrum AJ-57-2324-3
Synonyms 3-(hydroxymethyl)-2-methyl-1-benzothiopyran-4-one 3-(hydroxymethyl)-2-methyl-thiochromen-4-one
Wiley ID 1204149