SpectraBase Spectrum ID |
8JVY5JRPbuK |
Name |
Isotonitazene |
CAS Registry Number |
14188-81-9 |
Classification |
Nitazene opioid designer drug |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
410.231790839 u |
Formula |
C23H30N4O3 |
InChI |
InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3 |
InChIKey |
OIOQREYBGDAYGT-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
410.518 g/mol |
Nominal Mass |
410 u |
Quality |
1000 |
Retention Index |
3305 |
SMILES |
C=12N(C(=NC2=CC(=CC1)[N+](=O)[O-])CC=1C=CC(=CC1)OC(C)C)CCN(CC)CC |
SPLASH |
splash10-000i-9210000000-aee2f8df50de527db645 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine |
Technique |
GC/MS |
Wiley ID |
DD2024_026930 |