| SpectraBase Compound ID | 3kRHX7S62l1 |
|---|---|
| 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+/m0/s1 |
| InChIKey | BERYBAUEDCRDKM-BQBSEFIJSA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C21H22N2O3 |
| Exact Mass | 350.163043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4lf4V8TndOD |
|---|---|
| Name | VOMILENINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m0/s1 |
| InChIKey | BERYBAUEDCRDKM-BQBSEFIJSA-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 | 350.417 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4186 |