| SpectraBase Spectrum ID |
BwjU3VuhNjY |
| Name |
Phenylthioacetic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.977856134 u |
| Formula |
C14H10Cl2O2S |
| InChI |
InChI=1S/C14H10Cl2O2S/c15-12-7-6-10(8-13(12)16)18-14(17)9-19-11-4-2-1-3-5-11/h1-8H,9H2 |
| InChIKey |
BDFGZZWWXMDBOI-UHFFFAOYSA-N |
| Molecular Weight |
313.198 g/mol |
| SMILES |
C1=CC=CC(=C1)SCC(OC1=CC(=C(C=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838887 |
