| SpectraBase Compound ID | 27pVAbMjJ7i |
|---|---|
| InChI | InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17+,19+,20-/m0/s1 |
| InChIKey | BDXYPHKGNUGUFG-URHSYYSCSA-N |
| Mol Weight | 338.41 g/mol |
| Molecular Formula | C20H22N2O3 |
| Exact Mass | 338.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K9sZ4urq3Rb |
|---|---|
| Name | Picralstonine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N2O3 |
| InChI | InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17+,19+,20-/m0/s1 |
| InChIKey | BDXYPHKGNUGUFG-URHSYYSCSA-N |
| Molecular Weight | 338.407 g/mol |
| SMILES | N1c2ccccc2[C@]23[C@@]11[C@]4(N(C\C([C@@]([C@@]3(C(=O)OC)[H])(C4)[H])=C/C)[C@](O1)(C2)[H])[H] |
| SPLASH | splash10-000i-4495000000-0b5a03536c82308d6536 |
| Source of Spectrum | F7-12-364-39 |
| Wiley ID | 1556686 |