| SpectraBase Spectrum ID |
DnqN8q7DiPw |
| Name |
Mitragynine |
| CAS Registry Number |
4697-67-0 |
| Classification |
Indole alkaloid, stimulant |
| 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 |
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 |
| Quality |
992 |
| 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-1896000000-2fb6cf5a9bb8a032dfea |
| 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_032670 |
