| SpectraBase Compound ID | Kz6YBYvGUR8 |
|---|---|
| InChI | InChI=1S/C19H16N2S/c1-2-7-14(8-3-1)17-13-18(19-11-6-12-22-19)21-16-10-5-4-9-15(16)20-17/h1-12,17,20H,13H2 |
| InChIKey | LENNUKZCLMTECD-UHFFFAOYSA-N |
| Mol Weight | 304.41 g/mol |
| Molecular Formula | C19H16N2S |
| Exact Mass | 304.10342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5g2ZRLCXeM |
|---|---|
| Name | 2-Phenyl-4-(2-thienyl)-2,3-dihydro-1H-1,5-benzodiazepine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.103419697 u |
| Formula | C19H16N2S |
| InChI | InChI=1S/C19H16N2S/c1-2-7-14(8-3-1)17-13-18(19-11-6-12-22-19)21-16-10-5-4-9-15(16)20-17/h1-12,17,20H,13H2 |
| InChIKey | LENNUKZCLMTECD-UHFFFAOYSA-N |
| Molecular Weight | 304.411 g/mol |
| SMILES | C1(=NC=2C(NC(C1)C=1C=CC=CC1)=CC=CC2)C=1SC=CC1 |