| SpectraBase Compound ID | EMDNonyHJmg |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)15-9-14(19-21-15)16(20)18-13-3-2-8-17-10-13/h2-10H,1H3,(H,18,20) |
| InChIKey | BZNMRSZLUDRMKC-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65Sh1vskHL3 |
|---|---|
| Name | 3-Isoxazolecarboxamide, 5-(4-methylphenyl)-N-(3-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)15-9-14(19-21-15)16(20)18-13-3-2-8-17-10-13/h2-10H,1H3,(H,18,20) |
| InChIKey | BZNMRSZLUDRMKC-UHFFFAOYSA-N |
| Molecular Weight | 279.299 g/mol |
| SMILES | N(C(C1=NOC(=C1)C1=CC=C(C=C1)C)=O)C1=CN=CC=C1 |