| SpectraBase Compound ID | GzTIp96Pbwo |
|---|---|
| InChI | InChI=1S/C17H14ClNOS/c1-2-11-6-5-7-12(10-11)19-17(20)16-15(18)13-8-3-4-9-14(13)21-16/h3-10H,2H2,1H3,(H,19,20) |
| InChIKey | JMRXETJEZANZBL-UHFFFAOYSA-N |
| Mol Weight | 315.82 g/mol |
| Molecular Formula | C17H14ClNOS |
| Exact Mass | 315.048463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0AXHp6Z627 |
|---|---|
| Name | 3-Chloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.048462948 u |
| Formula | C17H14ClNOS |
| InChI | InChI=1S/C17H14ClNOS/c1-2-11-6-5-7-12(10-11)19-17(20)16-15(18)13-8-3-4-9-14(13)21-16/h3-10H,2H2,1H3,(H,19,20) |
| InChIKey | JMRXETJEZANZBL-UHFFFAOYSA-N |
| SMILES | N(C(C=1SC=2C=CC=CC2C1Cl)=O)C=1C=C(CC)C=CC1 |