| SpectraBase Compound ID | 3ckynwNIMFo |
|---|---|
| InChI | InChI=1S/C17H13F3N2O/c1-23-12-8-6-11(7-9-12)15-10-16(17(18,19)20)22-14-5-3-2-4-13(14)21-15/h2-9H,10H2,1H3 |
| InChIKey | QDVVEVBKWVCABU-UHFFFAOYSA-N |
| Mol Weight | 318.3 g/mol |
| Molecular Formula | C17H13F3N2O |
| Exact Mass | 318.097998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArnBTKbfZ38 |
|---|---|
| Name | 2-(4-Methoxyphenyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.097997535 u |
| Formula | C17H13F3N2O |
| InChI | InChI=1S/C17H13F3N2O/c1-23-12-8-6-11(7-9-12)15-10-16(17(18,19)20)22-14-5-3-2-4-13(14)21-15/h2-9H,10H2,1H3 |
| InChIKey | QDVVEVBKWVCABU-UHFFFAOYSA-N |
| Molecular Weight | 318.299 g/mol |
| SMILES | C=1C=CC=2N=C(CC(=NC2C1)C(F)(F)F)C=1C=CC(=CC1)OC |