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4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
SpectraBase Compound ID I85NrqYrDKM
InChI InChI=1S/C10H8O3S2/c1-15(12,13)10-6-8(11)7-4-2-3-5-9(7)14-10/h2-6H,1H3
InChIKey OOJMVHRMWQYPHX-UHFFFAOYSA-N
Mol Weight 240.29 g/mol
Molecular Formula C10H8O3S2
Exact Mass 239.991486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3jivc7tzn7A
Name 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.991486463 u
Formula C10H8O3S2
InChI InChI=1S/C10H8O3S2/c1-15(12,13)10-6-8(11)7-4-2-3-5-9(7)14-10/h2-6H,1H3
InChIKey OOJMVHRMWQYPHX-UHFFFAOYSA-N
Molecular Weight 240.291 g/mol
SMILES C1(=O)C2=CC=CC=C2SC(=C1)S(=O)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936954