![4-{[benzyl(alpha-methylphenethyl)amino]methyl}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one](/api/spectrum/9llt2war9eT/structure.png?h=300&w=458 "4-{[benzyl(alpha-methylphenethyl)amino]methyl}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one")
| SpectraBase Compound ID | 2Ca3pUXUHVi |
|---|---|
| InChI | InChI=1S/C28H31N3O/c1-22(19-24-13-7-4-8-14-24)30(20-25-15-9-5-10-16-25)21-27-23(2)29(3)31(28(27)32)26-17-11-6-12-18-26/h4-18,22H,19-21H2,1-3H3 |
| InChIKey | TXPSPWZUHNTTQQ-UHFFFAOYSA-N |
| Mol Weight | 425.58 g/mol |
| Molecular Formula | C28H31N3O |
| Exact Mass | 425.246713 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9llt2war9eT |
|---|---|
| Name | 4-{[benzyl(alpha-methylphenethyl)amino]methyl}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H31N3O |
| InChI | InChI=1S/C28H31N3O/c1-22(19-24-13-7-4-8-14-24)30(20-25-15-9-5-10-16-25)21-27-23(2)29(3)31(28(27)32)26-17-11-6-12-18-26/h4-18,22H,19-21H2,1-3H3 |
| InChIKey | TXPSPWZUHNTTQQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 42789M |
| Solvent | CDCl3 |