| SpectraBase Compound ID | Bcu9i7HEIhW |
|---|---|
| InChI | InChI=1S/C12H9ClO2S/c13-9-3-5-10(6-4-9)15-12(14)8-11-2-1-7-16-11/h1-7H,8H2 |
| InChIKey | JKMNFPKKWDGILK-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 | D9o8TlQSCBf |
|---|---|
| Name | 2-Thiopheneacetic acid, 4-chlorophenyl 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/c13-9-3-5-10(6-4-9)15-12(14)8-11-2-1-7-16-11/h1-7H,8H2 |
| InChIKey | JKMNFPKKWDGILK-UHFFFAOYSA-N |
| Molecular Weight | 252.715 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CC=1SC=CC1)=O)Cl |