| SpectraBase Compound ID | ImSfFgPjs1Z |
|---|---|
| InChI | InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15+,16+,17+,19?,20+,21-/m1/s1 |
| InChIKey | BERYBAUEDCRDKM-IPOLICJSSA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C21H22N2O3 |
| Exact Mass | 350.163043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrEXWBDqKa |
|---|---|
| Name | Vomilenine |
| CAS Registry Number | 6880-50-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H22N2O3 |
| InChI | InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15+,16+,17+,19?,20+,21-/m1/s1 |
| InChIKey | BERYBAUEDCRDKM-IPOLICJSSA-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 |