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2-PHENYL-4-(D-ARABINO-3'-HYDROXY-O-1',2'-ISOPROPYLIDENE-4'-O-PARA-TOLUENESULFONYLBUTYL)-2H-1,2,3-TRIAZOLE
SpectraBase Compound ID KUKp7fg7QN9
InChI InChI=1S/C22H25N3O6S/c1-15-9-11-17(12-10-15)32(27,28)29-14-19(26)21-20(30-22(2,3)31-21)18-13-23-25(24-18)16-7-5-4-6-8-16/h4-13,19-21,26H,14H2,1-3H3/t19-,20-,21+/m0/s1
InChIKey XDKYZSGXCCKGRL-PCCBWWKXSA-N
Mol Weight 459.52 g/mol
Molecular Formula C22H25N3O6S
Exact Mass 459.146407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIpa19qKP2I
Name 2-PHENYL-4-(D-ARABINO-3'-HYDROXY-O-1',2'-ISOPROPYLIDENE-4'-O-PARA-TOLUENESULFONYLBUTYL)-2H-1,2,3-TRIAZOLE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N3O6S
InChI InChI=1S/C22H25N3O6S/c1-15-9-11-17(12-10-15)32(27,28)29-14-19(26)21-20(30-22(2,3)31-21)18-13-23-25(24-18)16-7-5-4-6-8-16/h4-13,19-21,26H,14H2,1-3H3/t19-,20-,21+/m0/s1
InChIKey XDKYZSGXCCKGRL-PCCBWWKXSA-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 459.517 g/mol
Solvent CDCl3
Source File Reference UWLU31000