| SpectraBase Compound ID | Evx7Mg1zHBp |
|---|---|
| InChI | InChI=1S/C15H12ClNOS/c16-11-5-3-4-10(8-11)14-9-15(18)17-12-6-1-2-7-13(12)19-14/h1-8,14H,9H2,(H,17,18) |
| InChIKey | RTNIBKIWELCLBZ-UHFFFAOYSA-N |
| Mol Weight | 289.78 g/mol |
| Molecular Formula | C15H12ClNOS |
| Exact Mass | 289.032813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwAsiSxPS5m |
|---|---|
| Name | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(3-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.032812883 u |
| Formula | C15H12ClNOS |
| InChI | InChI=1S/C15H12ClNOS/c16-11-5-3-4-10(8-11)14-9-15(18)17-12-6-1-2-7-13(12)19-14/h1-8,14H,9H2,(H,17,18) |
| InChIKey | RTNIBKIWELCLBZ-UHFFFAOYSA-N |
| Molecular Weight | 289.780 g/mol |
| SMILES | C1=CC=C2C(=C1)SC(CC(=O)N2)C1=CC(Cl)=CC=C1 |