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AKB57

View entire compound with spectra: 1 MS (GC)

AKB57
SpectraBase Compound ID BLkoRiQYDNE
InChI InChI=1S/C23H30N2O2/c1-2-3-6-9-25-20-8-5-4-7-19(20)21(24-25)22(26)27-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3
InChIKey KCCVWUAAHDXNNQ-UHFFFAOYSA-N
Mol Weight 366.51 g/mol
Molecular Formula C23H30N2O2
Exact Mass 366.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LYeO5Vya9W
Name AKB57
Alternate Name(s) APINAC Adamantyl-1-pentyl-1H-indazole-3-carboxylate adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O2
InChI InChI=1S/C23H30N2O2/c1-2-3-6-9-25-20-8-5-4-7-19(20)21(24-25)22(26)27-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3
InChIKey KCCVWUAAHDXNNQ-UHFFFAOYSA-N
Molecular Weight 366.505 g/mol
SMILES c1(n[n](c2ccccc12)CCCCC)C(=O)OC12CC3CC(CC(C2)C3)C1
SPLASH splash10-00li-4941000000-16329573893b28154e5c
Source of Spectrum SWG-33-4351-0
Wiley ID 1810965