| SpectraBase Compound ID | 905DcAF14Kl |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c20-16(18-11-12-5-4-8-17-10-12)14-9-15(21-19-14)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,20) |
| InChIKey | ROFSVDRDYZAHNK-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 | CWT4bdP8KQA |
|---|---|
| Name | 3-Isoxazolecarboxamide, 5-phenyl-N-(3-pyridinylmethyl)- |
| 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/c20-16(18-11-12-5-4-8-17-10-12)14-9-15(21-19-14)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,20) |
| InChIKey | ROFSVDRDYZAHNK-UHFFFAOYSA-N |
| Molecular Weight | 279.299 g/mol |
| SMILES | N(C(C1=NOC(=C1)C1=CC=CC=C1)=O)CC1=CN=CC=C1 |