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Mitragynine
SpectraBase Compound ID TWKAhpITpG
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19+/m1/s1
InChIKey LELBFTMXCIIKKX-SUCIZOKWSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfCvDZezj0d
Name Mitragynine
CAS Registry Number 4697-67-0
Classification Indole alkaloid, stimulant
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 398.220557450 u
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19+/m1/s1
InChIKey LELBFTMXCIIKKX-SUCIZOKWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 398.503 g/mol
Nominal Mass 398 u
Retention Index 3288
SMILES [C@@]1([C@@](CN2[C@](C3=C(C=4C(N3)=CC=CC4OC)CC2)(C1)[H])(CC)[H])(\C(C(OC)=O)=C\OC)[H]
SPLASH splash10-01ot-1896000000-918f63218b97b3f77c4e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 16,17-didehydro-9,17-dimethoxy-corynan-16-carboxylic acid methyl ester
Technique GC/MS
Wiley ID DD2024_034260