| SpectraBase Compound ID | IQomHhnINOx |
|---|---|
| InChI | InChI=1S/C19H17ClN2O3/c1-3-16(23)25-18-19(24)22(2)15-10-9-13(20)11-14(15)17(21-18)12-7-5-4-6-8-12/h4-11,18H,3H2,1-2H3 |
| InChIKey | XLLIZHAJTGQVQR-UHFFFAOYSA-N |
| Mol Weight | 356.81 g/mol |
| Molecular Formula | C19H17ClN2O3 |
| Exact Mass | 356.09277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIV39yQWCIW |
|---|---|
| Name | Temazepam o-propionyl deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.092770112 u |
| Formula | C19H17ClN2O3 |
| InChI | InChI=1S/C19H17ClN2O3/c1-3-16(23)25-18-19(24)22(2)15-10-9-13(20)11-14(15)17(21-18)12-7-5-4-6-8-12/h4-11,18H,3H2,1-2H3 |
| InChIKey | XLLIZHAJTGQVQR-UHFFFAOYSA-N |
| Molecular Weight | 356.809 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C2=CC(=CC=C2N(C(C(N1)OC(=O)CC)=O)C)Cl |