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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DV2y4aBklC9
Name 5-Chloro AKB48
Source of Sample Cayman Chemical Company
Catalog Number 18166
Lot Number 0472010-7
Accessory DurasamplIR II
Acronyms 5-Chloro APINACA
Copyright Copyright © 2019-2024 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
Instrument Name Bio-Rad FTS
SMILES N(C(c1c2ccccc2[n](n1)CCCCCCl)=O)[C@]12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat