| SpectraBase Spectrum ID |
23GqXsEdHlf |
| Name |
1,4-Benzenedicarboxylic acid, 2,5-dimercapto- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.970751017 u |
| Formula |
C8H6O4S2 |
| InChI |
InChI=1S/C8H6O4S2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2,13-14H,(H,9,10)(H,11,12) |
| InChIKey |
YYGZWQNDFRCZIF-UHFFFAOYSA-N |
| Molecular Weight |
230.252 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)C(O)=O)S)C(O)=O)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851483 |
