| SpectraBase Spectrum ID |
5ZqqHUHPyU4 |
| Name |
1-(3-Bromobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I |
| Classification |
Indole cannabinoid side product |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
415.093562712 u |
| Formula |
C25H22BrN |
| InChI |
InChI=1S/C25H22BrN/c1-3-22(20-11-5-4-6-12-20)25-18(2)27(24-15-8-7-14-23(24)25)17-19-10-9-13-21(26)16-19/h3-16H,17H2,1-2H3/b22-3+ |
| InChIKey |
VGOFMVUBSLGPBW-HEQWTUPCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.362 g/mol |
| Nominal Mass |
415 u |
| Quality |
846 |
| Retention Index |
3021 |
| SMILES |
C=1(C=2C(N(C1C)CC=1C=C(C=CC1)Br)=CC=CC2)\C(C1=CC=CC=C1)=C\C |
| SPLASH |
splash10-014i-3883900000-831ebf16782bfa9c3d8e |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3-Bromobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)indole I
1-(3-bromobenzyl)-2-methyl-3-(1-phenylprop-1-en-1-yl)-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015375 |
