| SpectraBase Compound ID | 3kBknvx5wME |
|---|---|
| InChI | InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 |
| InChIKey | HLOHVVZZMMMDMM-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C9H8N2O |
| Exact Mass | 160.063663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AINCBLAZJrC |
|---|---|
| Name | 5-Amino-3-phenylisoxazole; isoxazole, 5-amino-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.063662885 u |
| Formula | C9H8N2O |
| InChI | InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 |
| InChIKey | HLOHVVZZMMMDMM-UHFFFAOYSA-N |
| SMILES | NC=1ON=C(C2=CC=CC=C2)C1 |