| SpectraBase Spectrum ID |
5WJHGJJP6QK |
| Name |
1-(2-Chlorobenzyl)-3-(1-(4-ethylphenyl)-1-propen-1-yl)-2-methyl-1H-indole |
| Classification |
Indole cannabinoid side product |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
399.175377541 u |
| Formula |
C27H26ClN |
| InChI |
InChI=1S/C27H26ClN/c1-4-20-14-16-21(17-15-20)23(5-2)27-19(3)29(26-13-9-7-11-24(26)27)18-22-10-6-8-12-25(22)28/h5-17H,4,18H2,1-3H3/b23-5+ |
| InChIKey |
UACUSQBAQIIMOW-MUDSWDHVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
399.965 g/mol |
| Nominal Mass |
399 u |
| Quality |
958 |
| Retention Index |
3091 |
| SMILES |
C=1(C=2C(N(C1C)CC1=C(C=CC=C1)Cl)=CC=CC2)\C(C=1C=CC(=CC1)CC)=C\C |
| SPLASH |
splash10-0fft-1589100000-78deb58f2ac015fa0971 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2-Chlorobenzyl)-3-(1-(4-ethylphenyl)-1-propen-1-yl)-2-methylindole
1-(2-chlorobenzyl)-3-(1-(4-ethylphenyl)prop-1-en-1-yl)-2-methyl-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015669 |
