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Benzothiopyrano[3,4-b][1,4]benzothiazine, 5,5-dioxide

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Benzothiopyrano[3,4-b][1,4]benzothiazine, 5,5-dioxide
SpectraBase Compound ID 8ZnlWOyQTGW
InChI InChI=1S/C15H9NO2S2/c17-20(18)9-13-15(10-5-1-4-8-14(10)20)16-11-6-2-3-7-12(11)19-13/h1-9H
InChIKey CSPHXOVONQWZDU-UHFFFAOYSA-N
Mol Weight 299.36 g/mol
Molecular Formula C15H9NO2S2
Exact Mass 299.007471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5SxQ0TwCJ7x
Name Benzothiopyrano[3,4-B][1,4]benzothiazine, 5,5-dioxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.007470880 u
Formula C15H9NO2S2
InChI InChI=1S/C15H9NO2S2/c17-20(18)9-13-15(10-5-1-4-8-14(10)20)16-11-6-2-3-7-12(11)19-13/h1-9H
InChIKey CSPHXOVONQWZDU-UHFFFAOYSA-N
SMILES C=1S(C=2C(C3=NC4=CC=CC=C4SC13)=CC=CC2)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840249