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AB-FUBINACA

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

AB-FUBINACA
SpectraBase Compound ID CUPdG0yxF35
InChI InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)
InChIKey AKOOIMKXADOPDA-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C20H21FN4O2
Exact Mass 368.164854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EI8jCRWXCeW
Name N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDE;AB-FUBINACA
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21FN4O2
InChI InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)
InChIKey AKOOIMKXADOPDA-UHFFFAOYSA-N
Literature Reference Author N.UCHIYAMA,S.MATSUDA,D.WAKANA,R.KIKURA-HANAJIRI,Y.GODA
Literature Reference Citation FORENSIC.TOXICOL.,31,93(2013)
Literature Reference DOI 10.1007/s11419-012-0171-4
Molecular Weight 368.411 g/mol
Source File Reference UWLU75063