| SpectraBase Compound ID | AqD9CBH4pom |
|---|---|
| InChI | InChI=1S/C15H13ClO2S/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3 |
| InChIKey | SVXKXQHRVSGYOJ-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 | 67vUnCKH8fZ |
|---|---|
| Name | 4-(Methylthio)benzoic acid, 3-chlorobenzyl 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/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3 |
| InChIKey | SVXKXQHRVSGYOJ-UHFFFAOYSA-N |
| Molecular Weight | 292.780 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC=1C=C(C=CC1)Cl)SC |