| SpectraBase Compound ID | 2NF9uKtV2MS |
|---|---|
| InChI | InChI=1S/C18H15ClN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22) |
| InChIKey | VHQMQINQWDNZLT-UHFFFAOYSA-N |
| Mol Weight | 326.78 g/mol |
| Molecular Formula | C18H15ClN2O2 |
| Exact Mass | 326.082205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3eMjebOzJc |
|---|---|
| Name | N-(4-Chlorobenzyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.082205429 u |
| Formula | C18H15ClN2O2 |
| InChI | InChI=1S/C18H15ClN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22) |
| InChIKey | VHQMQINQWDNZLT-UHFFFAOYSA-N |
| SMILES | N(C(C=1C(=NOC1C)C=1C=CC=CC1)=O)CC1=CC=C(C=C1)Cl |