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 |