![5-[1-(p-Chlorophenoxy)ethyl]pyrazole-1-carboxanilide](/api/spectrum/9dYRcln0zko/structure.png?h=300&w=458 "5-[1-(p-Chlorophenoxy)ethyl]pyrazole-1-carboxanilide")
| SpectraBase Compound ID | ANf2B5Dekjo |
|---|---|
| InChI | InChI=1S/C18H16ClN3O2/c1-13(24-16-9-7-14(19)8-10-16)17-11-12-20-22(17)18(23)21-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23) |
| InChIKey | LOKWBQKIAJEWGQ-UHFFFAOYSA-N |
| Mol Weight | 341.8 g/mol |
| Molecular Formula | C18H16ClN3O2 |
| Exact Mass | 341.093104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dYRcln0zko |
|---|---|
| Name | 5-[1-(p-Chlorophenoxy)ethyl]pyrazole-1-carboxanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.093104465 u |
| Formula | C18H16ClN3O2 |
| InChI | InChI=1S/C18H16ClN3O2/c1-13(24-16-9-7-14(19)8-10-16)17-11-12-20-22(17)18(23)21-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23) |
| InChIKey | LOKWBQKIAJEWGQ-UHFFFAOYSA-N |
| SMILES | CC(C=1N(C(=O)NC2=CC=CC=C2)N=CC1)OC1=CC=C(Cl)C=C1 |