| SpectraBase Compound ID | 3TGjicXLU62 |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-10-9-13(15-17-10)14-8-7-12(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15) |
| InChIKey | KOLVRZSUBIQCLC-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aay54K3Ks45 |
|---|---|
| Name | Propan-1-one, 3-(5-methyl-3-isoxazolylamino)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-10-9-13(15-17-10)14-8-7-12(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15) |
| InChIKey | KOLVRZSUBIQCLC-UHFFFAOYSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | C1=CC=CC=C1C(=O)CCNC=1C=C(C)ON1 |