For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Chloro AKB48
SpectraBase Compound ID HagOGcftVmm
InChI InChI=1S/C23H30ClN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)/t16-,17+,18-,23-
InChIKey LGENBCKWDLSPTD-BRGRSMLUSA-N
Mol Weight 399.97 g/mol
Molecular Formula C23H30ClN3O
Exact Mass 399.20774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4iJJtOBiJk
Name APINACA (5-chloropentyl)
Classification Indazole cannabinoid 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 399.207740297 u
Formula C23H30ClN3O
InChI InChI=1S/C23H30ClN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)/t16-,17+,18-,23-
InChIKey LGENBCKWDLSPTD-BRGRSMLUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.966 g/mol
Nominal Mass 399 u
Quality 998
Retention Index 3544
SMILES C12(NC(C=3C=4C(N(N3)CCCCCCl)=CC=CC4)=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0005-6953000000-138706f243876ca11f63
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5C-AKB-48 5-Cl AKB-48 5Cl-AKB-48 5Cl-AKB48 5Cl-APINACA N-(Adamantan-1-yl)-1-(5-chloropentyl)-1H-indazole-3-carboxamide
Technique GC/MS
Wiley ID DD2024_023525