| SpectraBase Spectrum ID |
68ZdHzmNjsa |
| Name |
1,4-Dithioterephthalic acid, S,S-diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.043522037 u |
| Formula |
C12H14O2S2 |
| InChI |
InChI=1S/C12H14O2S2/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
REWUJTGPDGQQHP-UHFFFAOYSA-N |
| Molecular Weight |
254.362 g/mol |
| SMILES |
C=1C(=CC=C(C1)C(SCC)=O)C(SCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.909765 |
