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6,11-Dihydro-7,10-dihydroxy-12H-benzo[b]thioxanthen-6,11-dione
SpectraBase Compound ID 3CGeqMP1H4e
InChI InChI=1S/C17H10O4S/c18-10-5-6-11(19)14-13(10)15(20)9-7-8-3-1-2-4-12(8)22-17(9)16(14)21/h1-6,18-19H,7H2
InChIKey CLTZUWJBXRKZQA-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 GOY8GagGTcr
Name 6,11-Dihydro-7,10-dihydroxy-12H-benzo[B]thioxanthen-6,11-dione
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/c18-10-5-6-11(19)14-13(10)15(20)9-7-8-3-1-2-4-12(8)22-17(9)16(14)21/h1-6,18-19H,7H2
InChIKey CLTZUWJBXRKZQA-UHFFFAOYSA-N
Molecular Weight 310.323 g/mol
SMILES C1C=2C(C=3C(C(C2SC=2C=CC=CC12)=O)=C(C=CC3O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968948