| SpectraBase Compound ID | 2a01im8cVdk |
|---|---|
| InChI | InChI=1S/2C25H35N3O4/c2*1-18(2)5-4-6-19(3)11-12-28-17-22(29)23(25(28)31)24(30)26-20-7-9-21(10-8-20)27-13-15-32-16-14-27/h5,7-10,19,29H,4,6,11-17H2,1-3H3,(H,26,30);5,7-10,19,26,30H,4,6,11-17H2,1-3H3/b;24-23+/t2*19-/m11/s1 |
| InChIKey | WUSOKVQLGNWJFV-POQHDBEFSA-N |
| Mol Weight | 441.6 g/mol |
| Molecular Formula | C25H35N3O4 |
| Exact Mass | 441.262757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mr3OlmrV2W |
|---|---|
| Name | AB-TAUTOMER |
| Compound Number | 2H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35N3O4 |
| InChI | InChI=1S/2C25H35N3O4/c2*1-18(2)5-4-6-19(3)11-12-28-17-22(29)23(25(28)31)24(30)26-20-7-9-21(10-8-20)27-13-15-32-16-14-27/h5,7-10,19,29H,4,6,11-17H2,1-3H3,(H,26,30);5,7-10,19,26,30H,4,6,11-17H2,1-3H3/b;24-23+/t2*19-/m11/s1 |
| InChIKey | WUSOKVQLGNWJFV-POQHDBEFSA-N |
| Literature Reference Author | Y.C.JEONG,M.G.MOLONEY |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1899(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.224 |
| Molecular Weight | 441.571 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU77550 |