| SpectraBase Spectrum ID |
GWJJt5SHyoS |
| Name |
1-Pentyl-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 |
317.214349873 u |
| Formula |
C23H27N |
| InChI |
InChI=1S/C23H27N/c1-4-6-12-17-24-18(3)23(21-15-10-11-16-22(21)24)20(5-2)19-13-8-7-9-14-19/h5,7-11,13-16H,4,6,12,17H2,1-3H3/b20-5+ |
| InChIKey |
ZUCAOYNRFVPSAQ-DENHBWNVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.476 g/mol |
| Nominal Mass |
317 u |
| Quality |
964 |
| Retention Index |
2472 |
| SMILES |
C=1(C=2C(N(C1C)CCCCC)=CC=CC2)\C(C=1C=CC=CC1)=C\C |
| SPLASH |
splash10-014i-1494000000-5fc731d5c87de64b62e7 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Pentyl-2-methyl-3-(1-phenyl-1-propen-1-yl)indole I
1-butyl-2-methyl-3-(1-phenylprop-1-en-1-yl)-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015363 |
