| SpectraBase Compound ID | 6sTbkoYsBbp |
|---|---|
| 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-JROKACKMSA-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 | 9QlQyJl5pxi |
|---|---|
| Name | Raucaffrinoline |
| CAS Registry Number | 36285-11-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-JROKACKMSA-N |
| Instrument Name | Varian CFT-20 |
| Literature Reference | F. Libot, N. Kunesch, Phytochem. 19, 989 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |