| SpectraBase Compound ID | IGAK9Jokljf |
|---|---|
| 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 |
| Mol Weight | 313.2 g/mol |
| Molecular Formula | C14H10Cl2O2S |
| Exact Mass | 311.977856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9LeB2RYrR7I |
|---|---|
| Name | Phenylthioacetic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |