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AKB48

View entire compound with spectra: 3 NMR, 1 FTIR, and 5 MS (GC)

AKB48
SpectraBase Compound ID GYK6Mv5gIvF
InChI InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23-
InChIKey UCTCCIPCJZKWEZ-BRGRSMLUSA-N
Mol Weight 365.52 g/mol
Molecular Formula C23H31N3O
Exact Mass 365.246713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6nOm64R2t9
Name AKB48
Alternate Name(s) 1-Pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide APINACA N-adamantyl-1-pentylindazole-3-carboxamide N-(1-adamantyl)-1-pentyl-1H-indazole-3-carboxamide N-(adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide N-((1s,3s)-adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N3O
InChI InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23-
InChIKey UCTCCIPCJZKWEZ-BRGRSMLUSA-N
Molecular Weight 365.521 g/mol
SMILES N(C(c1c2ccccc2[n](n1)CCCCC)=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-014i-3794000000-b0e03ff85502f5e206ee
Source of Spectrum SWG-33-3888-0
Wiley ID 1810559