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Thiochromanone 1,1-dioxide
SpectraBase Compound ID 9e6cAgz8EgJ
InChI InChI=1S/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey NNJAUTBXMFSABH-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 3PQ8SBesV5W
Name 4H-1-Benzothiopyran-4-one, 2,3-dihydro-, 1,1-dioxide
CAS Registry Number 19446-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey NNJAUTBXMFSABH-UHFFFAOYSA-N
Molecular Weight 196.220 g/mol
SMILES c12S(=O)(=O)CCC(c2cccc1)=O
SPLASH splash10-0udi-5900000000-612998e4aad1392c9c58
Source of Spectrum O-3-907-3
Synonyms 2,3-Dihydro-4H-thiochromen-4-one 1,1-dioxide 1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-4-one 1,1-Diketo-2,3-dihydrothiochromen-4-one 1,1-Dioxo-2,3-dihydro-1-benzothiopyran-4-one 1,1-Dioxo-2,3-dihydrothiochromen-4-one Thiochroman-4-one, 1,1-dioxide Thiochromanone 1,1-dioxide
Wiley ID 1192587