| SpectraBase Compound ID | 8QtKdt2qktA |
|---|---|
| InChI | InChI=1S/C20H19ClN2O2/c1-14(2)25-19(24)12-16-13-23(18-6-4-3-5-7-18)22-20(16)15-8-10-17(21)11-9-15/h3-11,13-14H,12H2,1-2H3 |
| InChIKey | CXEFPDWTQSOFID-UHFFFAOYSA-N |
| Mol Weight | 354.84 g/mol |
| Molecular Formula | C20H19ClN2O2 |
| Exact Mass | 354.113506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmtCQjl5Pgq |
|---|---|
| Name | Lonazolac I-prop |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.113505558 u |
| Formula | C20H19ClN2O2 |
| InChI | InChI=1S/C20H19ClN2O2/c1-14(2)25-19(24)12-16-13-23(18-6-4-3-5-7-18)22-20(16)15-8-10-17(21)11-9-15/h3-11,13-14H,12H2,1-2H3 |
| InChIKey | CXEFPDWTQSOFID-UHFFFAOYSA-N |
| Molecular Weight | 354.837 g/mol |
| SMILES | C=1(C(=CN(N1)C=1C=CC=CC1)CC(OC(C)C)=O)C=1C=CC(=CC1)Cl |