| SpectraBase Compound ID | G8F33OOrjh1 |
|---|---|
| InChI | InChI=1S/C12H9ClO2S/c13-10-5-3-9(4-6-10)8-15-12(14)11-2-1-7-16-11/h1-7H,8H2 |
| InChIKey | UWHVVRBFKDEOAN-UHFFFAOYSA-N |
| Mol Weight | 252.71 g/mol |
| Molecular Formula | C12H9ClO2S |
| Exact Mass | 252.001178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pAWq4wJFrr |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.001178402 u |
| Formula | C12H9ClO2S |
| InChI | InChI=1S/C12H9ClO2S/c13-10-5-3-9(4-6-10)8-15-12(14)11-2-1-7-16-11/h1-7H,8H2 |
| InChIKey | UWHVVRBFKDEOAN-UHFFFAOYSA-N |
| Molecular Weight | 252.715 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)COC(=O)C=1SC=CC1 |