| SpectraBase Compound ID | 9sGYdcykaoZ |
|---|---|
| InChI | InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey | ZHIZABUTNCVGJX-UHFFFAOYSA-N |
| Mol Weight | 292.78 g/mol |
| Molecular Formula | C15H13ClO2S |
| Exact Mass | 292.032479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsYNCU8YRDL |
|---|---|
| Name | (Phenylthio)acetic acid, (4-chlorophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.032478531 u |
| Formula | C15H13ClO2S |
| InChI | InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey | ZHIZABUTNCVGJX-UHFFFAOYSA-N |
| Molecular Weight | 292.780 g/mol |
| SMILES | C1=CC=C(C=C1)SCC(OCC1=CC=C(C=C1)Cl)=O |