For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,3-Dimethoxystrychnidin-10-one
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)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8JncdRo9h8i
Name Brucine
CAS Registry Number 357-57-3
Classification Rodenticide
Comments Spectrum verified by crosschecking against external libraries (one 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 956
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 splash10-0006-2966000000-06bcef00c666efaf6b46
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Brucina 10,11-Dimethoxystrychnine
Technique GC/MS
Wiley ID DD2024_000342