| SpectraBase Compound ID | DgTGVy50IsZ |
|---|---|
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | RRKTZKIUPZVBMF-IBTVXLQLSA-N |
| Mol Weight | 394.47 g/mol |
| Molecular Formula | C23H26N2O4 |
| Exact Mass | 394.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KtQ93Bepemo |
|---|---|
| Name | Brucine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26N2O4 |
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | RRKTZKIUPZVBMF-IBTVXLQLSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 394.471 g/mol |
| SMILES | c1(OC)c(OC)cc2c(c1)[C@@]13[C@@]4(C[C@]5(C(=CCO[C@]6(CC(N2[C@@]3([H])[C@@]56[H])=O)[H])CN4CC1)[H])[H] |
| SPLASH | splash10-0006-1309000000-e9bb8523b9a7bbf7a504 |
| Source of Spectrum | SRH-2022-11070-0 |
| Wiley ID | 1832677 |