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ISOTHIOCHROMAN-4-ON
SpectraBase Compound ID JtwxTdVTVbt
InChI InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WXGFRIMZEZRKFH-UHFFFAOYSA-N
Mol Weight 164.22 g/mol
Molecular Formula C9H8OS
Exact Mass 164.029586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75wEYA9eabL
Name 1H-2-Benzothiopyran-4(3H)-one
CAS Registry Number 4426-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8OS
InChI InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WXGFRIMZEZRKFH-UHFFFAOYSA-N
Molecular Weight 164.222 g/mol
SMILES C1(=O)c2c(CSC1)cccc2
SPLASH splash10-02tc-5900000000-cf1e2ed551520cd99b15
Synonyms 1H-Isothiochromen-4(3H)-one 1H-2-benzothiopyran-4-one 1H-isothiochromen-4-one 2-Isothiochroman-4-one isothiochroman-4-one Isothiochromanone NSC 208878
Wiley ID 1470164