| SpectraBase Compound ID | DZijQR4BKsW |
|---|---|
| InChI | InChI=1S/C19H18ClN3O/c20-15-9-7-14(8-10-15)12-23-17-5-2-1-4-16(17)21-18(23)13-22-11-3-6-19(22)24/h1-2,4-5,7-10H,3,6,11-13H2 |
| InChIKey | BELFTQXCFIPCTM-UHFFFAOYSA-N |
| Mol Weight | 339.83 g/mol |
| Molecular Formula | C19H18ClN3O |
| Exact Mass | 339.11384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hjj1ORNge4b |
|---|---|
| Name | Clemizole-m (oxo-) P1148 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.113839911 u |
| Formula | C19H18ClN3O |
| InChI | InChI=1S/C19H18ClN3O/c20-15-9-7-14(8-10-15)12-23-17-5-2-1-4-16(17)21-18(23)13-22-11-3-6-19(22)24/h1-2,4-5,7-10H,3,6,11-13H2 |
| InChIKey | BELFTQXCFIPCTM-UHFFFAOYSA-N |
| Molecular Weight | 339.826 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CN1C(=NC2=CC=CC=C12)CN1C(CCC1)=O |