| SpectraBase Compound ID | 3lWgCK4MzLR |
|---|---|
| InChI | InChI=1S/C31H38N2O3/c1-19(2)23-16-21-10-13-28-30(3,14-7-15-31(28,4)29(34)36-6)25(21)17-24(23)27-18-26(32-33-27)20-8-11-22(35-5)12-9-20/h8-9,11-12,16-19,28H,7,10,13-15H2,1-6H3,(H,32,33)/t28?,30-,31-/m1/s1 |
| InChIKey | WAGRNAUJHZWKAJ-ZSUYXASHSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H38N2O3 |
| Exact Mass | 486.288243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKXomMZ1ZCy |
|---|---|
| Name | METHYL-12-(5-(3)-(4-METHOXYPHENYL)-PYRAZOL-3-(5)-YL)-DEHYDROABIETATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38N2O3 |
| InChI | InChI=1S/C31H38N2O3/c1-19(2)23-16-21-10-13-28-30(3,14-7-15-31(28,4)29(34)36-6)25(21)17-24(23)27-18-26(32-33-27)20-8-11-22(35-5)12-9-20/h8-9,11-12,16-19,28H,7,10,13-15H2,1-6H3,(H,32,33)/t28?,30-,31-/m1/s1 |
| InChIKey | WAGRNAUJHZWKAJ-ZSUYXASHSA-N |
| Literature Reference Author | A.J.D.SILVESTRE,S.M.C.MONTEIRO,A.M.S.SILVA,J.A.S.CAVALEIRO,V .M.S.FELIX,P.FERREIR |
| Literature Reference Citation | MH.CHEM.,129,1183(1998) |
| Literature Reference DOI | 10.1007/s007060050140 |
| Molecular Weight | 486.654 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2811 |