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2H-[1]Benzothieno[3,2-b]pyran-2-one, 4-phenyl-, 5,5-dioxide
SpectraBase Compound ID BVP0s2miGt
InChI InChI=1S/C17H10O4S/c18-15-10-13(11-6-2-1-3-7-11)17-16(21-15)12-8-4-5-9-14(12)22(17,19)20/h1-10H
InChIKey JSUCGNDXJTZTQT-UHFFFAOYSA-N
Mol Weight 310.32 g/mol
Molecular Formula C17H10O4S
Exact Mass 310.02998 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EkvuGi9l2JA
Name 2H-[1]Benzothieno[3,2-B]pyran-2-one, 4-phenyl-, 5,5-dioxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.029979972 u
Formula C17H10O4S
InChI InChI=1S/C17H10O4S/c18-15-10-13(11-6-2-1-3-7-11)17-16(21-15)12-8-4-5-9-14(12)22(17,19)20/h1-10H
InChIKey JSUCGNDXJTZTQT-UHFFFAOYSA-N
Molecular Weight 310.323 g/mol
SMILES C1=2S(C=3C(C2OC(C=C1C=1C=CC=CC1)=O)=CC=CC3)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960583