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4H-1-Benzothiopyran, ethanethioic acid deriv.

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4H-1-Benzothiopyran, ethanethioic acid deriv.
SpectraBase Compound ID 4BGeSOeAaoA
InChI InChI=1S/C11H8O2S2/c1-7(12)14-11-6-9(13)8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKey LJDORCQOMZSTRQ-UHFFFAOYSA-N
Mol Weight 236.3 g/mol
Molecular Formula C11H8O2S2
Exact Mass 235.996572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AHOS2182cfL
Name 4H-1-Benzothiopyran, ethanethioic acid deriv.
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.996571844 u
Formula C11H8O2S2
InChI InChI=1S/C11H8O2S2/c1-7(12)14-11-6-9(13)8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKey LJDORCQOMZSTRQ-UHFFFAOYSA-N
Molecular Weight 236.303 g/mol
SMILES C1(=CC(=O)C2=C(S1)C=CC=C2)SC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895748