| SpectraBase Compound ID | 8wLASJkbvw2 |
|---|---|
| InChI | InChI=1S/C16H12ClNOS/c1-10-5-4-6-11(9-10)18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,18,19) |
| InChIKey | RLGHTUXATLADBB-UHFFFAOYSA-N |
| Mol Weight | 301.79 g/mol |
| Molecular Formula | C16H12ClNOS |
| Exact Mass | 301.032813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L98qj2Dc28L |
|---|---|
| Name | Benzo[B]thiophene-2-carboxamide, 3-chloro-N-(3-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.032812883 u |
| Formula | C16H12ClNOS |
| InChI | InChI=1S/C16H12ClNOS/c1-10-5-4-6-11(9-10)18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,18,19) |
| InChIKey | RLGHTUXATLADBB-UHFFFAOYSA-N |
| Molecular Weight | 301.791 g/mol |
| SMILES | C12=C(C=CC=C2)SC(=C1Cl)C(NC1=CC(=CC=C1)C)=O |