| SpectraBase Compound ID | 4ICUIVcsVlM |
|---|---|
| InChI | InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17+,18+,20-,21+/m0/s1 |
| InChIKey | XIMPCXFLDSKALH-HLIRGEKUSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2srSPp7xoU |
|---|---|
| Name | RAUCAFFRINOLINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17+,18+,20-,21+/m0/s1 |
| InChIKey | XIMPCXFLDSKALH-HLIRGEKUSA-N |
| Literature Reference Author | C.V.F.BATISTA,J.SCHRIPSEMA,R.VERPOORTE,S.B.RECH,A.T.HENRIQUE S |
| Literature Reference Citation | PHYTOCHEM.,41,969(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00666-4 |
| Molecular Weight | 352.433 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4183 |