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2-PHENYL-4-[D-ARABINO-4'-(2'''-ETHYLPIPERIDIN-1-YL)-3'-HYDROXY-O-1',2'-ISOPROPYLIDENEBUTYL]-2H-1,2,3-TRIAZOLE
SpectraBase Compound ID IwynMfzsrCF
InChI InChI=1S/C22H32N4O3/c1-4-16-10-8-9-13-25(16)15-19(27)21-20(28-22(2,3)29-21)18-14-23-26(24-18)17-11-6-5-7-12-17/h5-7,11-12,14,16,19-21,27H,4,8-10,13,15H2,1-3H3/t16?,19-,20-,21+/m1/s1
InChIKey YVJFNVSGRUPCOQ-HNFCRDGBSA-N
Mol Weight 400.5 g/mol
Molecular Formula C22H32N4O3
Exact Mass 400.247441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1M4bjtda2g
Name 2-PHENYL-4-[D-ARABINO-4'-(2'''-ETHYLPIPERIDIN-1-YL)-3'-HYDROXY-O-1',2'-ISOPROPYLIDENEBUTYL]-2H-1,2,3-TRIAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N4O3
InChI InChI=1S/C22H32N4O3/c1-4-16-10-8-9-13-25(16)15-19(27)21-20(28-22(2,3)29-21)18-14-23-26(24-18)17-11-6-5-7-12-17/h5-7,11-12,14,16,19-21,27H,4,8-10,13,15H2,1-3H3/t16?,19-,20-,21+/m1/s1
InChIKey YVJFNVSGRUPCOQ-HNFCRDGBSA-N
Literature Reference Author HIMANSHU,R.TYAGI,C.E.OLSEN,W.ERRINGTON,V.S.PARMAR,A.K.PRASAD
Literature Reference Citation BIOORG.MED.CHEM.,10,963(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00349-2
Molecular Weight 400.521 g/mol
Solvent CDCl3
Source File Reference UWLU31004