| SpectraBase Spectrum ID |
5ZNKN4Nz052 |
| Name |
1-(3-Iodobenzyl)-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole I |
| Classification |
Designer drug side product |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
505.126644906 u |
| Formula |
C28H28IN |
| InChI |
InChI=1S/C28H28IN/c1-4-9-21-14-16-23(17-15-21)25(5-2)28-20(3)30(27-13-7-6-12-26(27)28)19-22-10-8-11-24(29)18-22/h5-8,10-18H,4,9,19H2,1-3H3/b25-5+ |
| InChIKey |
ONXXTXUDYBRDEA-VVAXDPKNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
505.443 g/mol |
| Nominal Mass |
505 u |
| Quality |
986 |
| Retention Index |
3590 |
| SMILES |
C=1(C=2C(N(C1C)CC1=CC(=CC=C1)I)=CC=CC2)\C(C1=CC=C(C=C1)CCC)=C\C |
| SPLASH |
splash10-052f-7290450000-9b8e068598d953b4c60a |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3-iodobenzyl)-2-methyl-3-(1-(4-propylphenyl)prop-1-en-1-yl)-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015806 |
