| SpectraBase Spectrum ID |
FE79zeR5LPj |
| Name |
4,5-Dihydro-4,5-dioxoindeno[1,2-B]thiopyran-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.998679843 u |
| Formula |
C13H6O4S |
| InChI |
InChI=1S/C13H6O4S/c14-10-6-3-1-2-4-7(6)12-9(10)11(15)8(5-18-12)13(16)17/h1-5H,(H,16,17) |
| InChIKey |
VMLOPOGLHQSHTD-UHFFFAOYSA-N |
| Molecular Weight |
258.247 g/mol |
| SMILES |
C12=C(SC=C(C2=O)C(=O)O)C=2C=CC=CC2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813078 |
![4,5-Dihydro-4,5-dioxoindeno[1,2-b]thiopyran-3-carboxylic acid](/api/spectrum/FE79zeR5LPj/structure.png?h=300&w=458 "4,5-Dihydro-4,5-dioxoindeno[1,2-b]thiopyran-3-carboxylic acid")
