| SpectraBase Compound ID | 4nQrXFhrqMD |
|---|---|
| InChI | InChI=1S/C16H13ClO3S/c1-21-10-15(18)20-14-8-4-12(5-9-14)16(19)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3 |
| InChIKey | RJRNKAJBIIVUPL-UHFFFAOYSA-N |
| Mol Weight | 320.79 g/mol |
| Molecular Formula | C16H13ClO3S |
| Exact Mass | 320.027393 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 | K7N7uMCczwv |
|---|---|
| Name | 4-(4-Chlorobenzoyl)phenyl (methylthio)ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.027393150 u |
| Formula | C16H13ClO3S |
| InChI | InChI=1S/C16H13ClO3S/c1-21-10-15(18)20-14-8-4-12(5-9-14)16(19)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3 |
| InChIKey | RJRNKAJBIIVUPL-UHFFFAOYSA-N |
| Molecular Weight | 320.790 g/mol |
| SMILES | C1=CC(=CC=C1C(C1=CC=C(C=C1)OC(=O)CSC)=O)Cl |