| SpectraBase Spectrum ID |
JEPoS9rfH7Y |
| Name |
Brucine |
| CAS Registry Number |
357-57-3 |
| Classification |
Rodenticide |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| 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 |
Electron Ionization (EI) |
| Molecular Weight |
394.471 g/mol |
| Nominal Mass |
394 u |
| Quality |
917 |
| Retention Index |
3280 |
| SMILES |
[C@@]123[C@@]4([C@]5([C@]6(C[C@@]3(N(CC6=CCO[C@]5(CC(N4C=3C2=CC(=C(C3)OC)OC)=O)[H])CC1)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-1639000000-50094560a070c393bd86 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Brucina
10,11-Dimethoxystrychnine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008011 |
