| SpectraBase Compound ID | 33zYovlDc9d |
|---|---|
| InChI | InChI=1S/C18H17ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3 |
| InChIKey | JUSAEXVLLOBKEU-UHFFFAOYSA-N |
| Mol Weight | 312.8 g/mol |
| Molecular Formula | C18H17ClN2O |
| Exact Mass | 312.102941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7HKd0A6aLe |
|---|---|
| Name | Nordiazepam, N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.102940874 u |
| Formula | C18H17ClN2O |
| InChI | InChI=1S/C18H17ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3 |
| InChIKey | JUSAEXVLLOBKEU-UHFFFAOYSA-N |
| Molecular Weight | 312.800 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C2=CC(=CC=C2N(C(=O)CN1)CCC)Cl |