| SpectraBase Compound ID | 9BIUH5jINlA |
|---|---|
| InChI | InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2 |
| InChIKey | XXYPDVRSHFSOFF-UHFFFAOYSA-N |
| Mol Weight | 360.43 g/mol |
| Molecular Formula | C21H16N2O2S |
| Exact Mass | 360.093249 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSnGRKrsnQ0 |
|---|---|
| Name | 2,3-dihydro-2-(m-nitrophenyl)-4-phenyl-1,5-benzothiazepine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16N2O2S |
| InChI | InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2 |
| InChIKey | XXYPDVRSHFSOFF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 29544M |
| Solvent | CDCl3 |