| SpectraBase Compound ID | 5afKFdQLvPw |
|---|---|
| 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-XVQACSHDSA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C21H22N2O3 |
| Exact Mass | 350.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | drP8hFKywW |
|---|---|
| Name | (19Z)-Vomilenine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-XVQACSHDSA-N |
| Molecular Weight | 350.418 g/mol |
| SMILES | OC1N2[C@]3(C[C@@]45C(=Nc6c5cccc6)[C@@]2(C[C@]([C@@]3([C@]4(OC(=O)C)[H])[H])(\C1=C/C)[H])[H])[H] |
| SPLASH | splash10-014i-2902000000-0af5d449a44b61d07098 |
| Source of Spectrum | E1-39-269-19 |
| Wiley ID | 1518678 |