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

*Links on SpectraBase are not permalinks.

5-Chloro AKB48

View entire compound with spectra: 3 FTIR, 1 Raman, and 6 MS (GC)

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

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5m7JLUtCHeq
Name 5-Chloro AKB48
Source of Sample Cayman Chemical Company
Catalog Number 18166
Lot Number 0472010-7
Acronyms 5-Chloro APINACA
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30ClN3O
IUPAC Name N-((3s,5s,7s)-Adamantan-1-yl)-1-(5-chloropentyl)-1H-indazole-3-carboxamide
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
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 597 mW
Raman Laser Source Nd:YAG
SMILES N(C(c1c2ccccc2[n](n1)CCCCCCl)=O)[C@@]12C[C@@]3(C[C@@](C[C@@](C3)(C1)[H])(C2)[H])[H]
Scans Performed 2944
Source of Spectrum Forensic Spectral Research
Technique FT-Raman