| 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 | 6FAbVCE5Kdq |
|---|---|
| Name | Brucine |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. 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 |
| SMILES | C1[C@@]2([C@@]3([C@@]4(N5C(C[C@@]3(OCC=C2CN2[C@@]1([C@]4(c1cc(c(cc51)OC)OC)CC2)[H])[H])=O)[H])[H])[H] |
| SPLASH | splash10-0006-3739000000-e95d121fa146a207765f |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |