| SpectraBase Spectrum ID |
JGw0b9qquUS |
| Name |
WIN 54,461 |
| CAS Registry Number |
166599-63-9 |
| Classification |
Aroylindole cannabinoid designer drug |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.104855670 u |
| Formula |
C23H25BrN2O3 |
| InChI |
InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3 |
| InChIKey |
DUYGSAPQVOBOCS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
457.368 g/mol |
| Nominal Mass |
456 u |
| Quality |
993 |
| Retention Index |
3700 |
| SMILES |
C=1(C=2C(N(C1C)CCN1CCOCC1)=CC(=CC2)Br)C(C=1C=CC(=CC1)OC)=O |
| SPLASH |
splash10-0udi-1910100000-3549593312c96fef843c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-Bromopravadoline
[6-Bromo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)methanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016784 |
