SpectraBase Spectrum ID |
JGCIClMX3Uu |
Name |
Mesembrenone |
CAS Registry Number |
468-54-2 |
Classification |
Psychoactive herb ingredient |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
287.152143537 u |
Formula |
C17H21NO3 |
InChI |
InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m1/s1 |
InChIKey |
HDNHBCSWFYFPAN-IAGOWNOFSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
287.359 g/mol |
Nominal Mass |
287 u |
Quality |
948 |
Retention Index |
2323 |
SMILES |
[C@]12([C@](N(CC2)C)(CC(C=C1)=O)[H])C1=CC(=C(C=C1)OC)OC |
SPLASH |
splash10-00di-9540000000-babfa4be176b56f19eba |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one |
Technique |
GC/MS |
Wiley ID |
DD2024_025385 |