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1-(4-hydroxy-6-methyl-5-benzofuranyl)-2-methylsulfinylethanone

View entire compound with spectra: 1 MS (GC)

1-(4-hydroxy-6-methyl-5-benzofuranyl)-2-methylsulfinylethanone
SpectraBase Compound ID 40OK0euqEPJ
InChI InChI=1S/C12H12O4S/c1-7-5-10-8(3-4-16-10)12(14)11(7)9(13)6-17(2)15/h3-5,14H,6H2,1-2H3
InChIKey FUUXSEYLCRYCPL-UHFFFAOYSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KviD26ieHH9
Name 1-(4-hydroxy-6-methyl-5-benzofuranyl)-2-methylsulfinylethanone
Alternate Name(s) 1-(4-hydroxy-6-methyl-benzofuran-5-yl)-2-methylsulfinyl-ethanone 1-(6-Methyl-4-oxidanyl-1-benzofuran-5-yl)-2-methylsulfinyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-7-5-10-8(3-4-16-10)12(14)11(7)9(13)6-17(2)15/h3-5,14H,6H2,1-2H3
InChIKey FUUXSEYLCRYCPL-UHFFFAOYSA-N
Molecular Weight 252.284 g/mol
SMILES Oc1c2ccoc2cc(c1C(=O)CS(=O)C)C
SPLASH splash10-000i-0920000000-a08cf88850630ab5361d
Source of Spectrum X2-56-1093-12
Wiley ID 1604952