| SpectraBase Spectrum ID |
CbuuU944Q2W |
| Name |
(Thioxanthen-9-ylthio)succinic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.033351275 u |
| Formula |
C17H14O4S2 |
| InChI |
InChI=1S/C17H14O4S2/c18-15(19)9-14(17(20)21)23-16-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)16/h1-8,14,16H,9H2,(H,18,19)(H,20,21) |
| InChIKey |
WOXPPIZIKRCTEL-UHFFFAOYSA-N |
| Molecular Weight |
346.415 g/mol |
| SMILES |
OC(C(CC(=O)O)SC1C=2C(SC=3C1=CC=CC3)=CC=CC2)=O |
| Spectrum/Structure Validation Score (Raman) |
0.941131 |
