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Isotonitazene
SpectraBase Compound ID AiAo8HgfEIJ
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
Mol Weight 410.52 g/mol
Molecular Formula C23H30N4O3
Exact Mass 410.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHpkSh5mdnM
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 964
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-9100000000-d1103694a2d00721fb36
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_032794