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6-Methylthiochroman-3-one

View entire compound with spectra: 1 MS (GC)

6-Methylthiochroman-3-one
SpectraBase Compound ID ETfXNlxcrCo
InChI InChI=1S/C10H10OS/c1-7-2-3-10-8(4-7)5-9(11)6-12-10/h2-4H,5-6H2,1H3
InChIKey BRXCIUHLMILDFR-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17cGYIL6QX1
Name 6-Methylthiochroman-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10OS
InChI InChI=1S/C10H10OS/c1-7-2-3-10-8(4-7)5-9(11)6-12-10/h2-4H,5-6H2,1H3
InChIKey BRXCIUHLMILDFR-UHFFFAOYSA-N
Molecular Weight 178.249 g/mol
SMILES C1C(Cc2cc(ccc2S1)C)=O
SPLASH splash10-002r-2900000000-34884485a05b6a43afea
Source of Spectrum KC-0-2397-36
Synonyms 6-Methyl-4H-1-benzothiopyran-3-one 6-Methyl-4H-thiochromen-3-one
Wiley ID 781915