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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMBnBDWDz70
Name 5-Chloro-AKB48
Alternate Name(s) 5-Chloro-APINACA N-(1-adamantyl)-1-(5-chloropentyl)indazole-3-carboxamide 5-Cl-AKB48 5-Cl-APINACA N-(adamantan-1-yl)-1-(5-chloropentyl)-1H-indazole-3-carboxamide N-((1s,3s)-adamantan-1-yl)-1-(5-chloropentyl)-1H-indazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 399.966 g/mol
SMILES N(C(c1c2ccccc2[n](n1)CCCCCCl)=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-0005-7973000000-05335f80fa456d8b49a7
Source of Spectrum SWG-33-4382-0
Wiley ID 1810995