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isothiochroman-4-one, 2,2-dioxide
SpectraBase Compound ID Eb3zGtR3JyM
InChI InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WZCXMBLDKALJTK-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C9H8O3S
Exact Mass 196.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYUUNJJ5Kna
Name 1H-Isothiochromen-4(3H)-one 2,2-dioxide
Alternate Name(s) 2,2-bis(oxidanylidene)-1H-isothiochromen-4-one 2,2-Diketo-1H-isothiochromen-4-one 2,2-Dioxo-1H-2-benzothiopyran-4-one 2,2-Dioxo-1H-isothiochromen-4-one Isothiochroman-4-one, 2,2-dioxide Isothiochromanone 2,2-dioxide
CAS Registry Number 16723-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WZCXMBLDKALJTK-UHFFFAOYSA-N
Molecular Weight 196.220 g/mol
SMILES c1ccc2c(c1)CS(CC2=O)(=O)=O
SPLASH splash10-0f89-4900000000-dd507314119db20632f9
Source of Spectrum O-3-907-3
Wiley ID 1192588