| SpectraBase Compound ID | 2LPg325kJwH |
|---|---|
| InChI | InChI=1S/C16H20N2O3/c1-10(2)15-11(3)17(5)18(16(15)20)13-6-8-14(9-7-13)21-12(4)19/h6-10H,1-5H3 |
| InChIKey | OGVIXQFLMXTJBQ-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C16H20N2O3 |
| Exact Mass | 288.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oRSOL9ffGy |
|---|---|
| Name | 1-(p-Acetoxyphenyl)-2,3-dimethyl-4-(prop-2-yl)-2,5-dihydropyrazole-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.147392509 u |
| Formula | C16H20N2O3 |
| InChI | InChI=1S/C16H20N2O3/c1-10(2)15-11(3)17(5)18(16(15)20)13-6-8-14(9-7-13)21-12(4)19/h6-10H,1-5H3 |
| InChIKey | OGVIXQFLMXTJBQ-UHFFFAOYSA-N |
| SMILES | C=1(C(N(C2=CC=C(OC(=O)C)C=C2)N(C1C)C)=O)C(C)C |