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N,N',N''-(NITRILOTRI-2,1-ETANEDIYL)-TRIS-[3,5-BIS-(TRIFLUOROMETHYL)-BENZAMIDE]
SpectraBase Compound ID BZvP5Z0yu95
InChI InChI=1S/C33H24F18N4O3/c34-28(35,36)19-7-16(8-20(13-19)29(37,38)39)25(56)52-1-4-55(5-2-53-26(57)17-9-21(30(40,41)42)14-22(10-17)31(43,44)45)6-3-54-27(58)18-11-23(32(46,47)48)15-24(12-18)33(49,50)51/h7-15H,1-6H2,(H,52,56)(H,53,57)(H,54,58)
InChIKey LMCAMQADQZYWMS-UHFFFAOYSA-N
Mol Weight 866.6 g/mol
Molecular Formula C33H24F18N4O3
Exact Mass 866.156098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuQNZrrXS4R
Name N,N',N''-(NITRILOTRI-2,1-ETANEDIYL)-TRIS-[3,5-BIS-(TRIFLUOROMETHYL)-BENZAMIDE]
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H24F18N4O3
InChI InChI=1S/C33H24F18N4O3/c34-28(35,36)19-7-16(8-20(13-19)29(37,38)39)25(56)52-1-4-55(5-2-53-26(57)17-9-21(30(40,41)42)14-22(10-17)31(43,44)45)6-3-54-27(58)18-11-23(32(46,47)48)15-24(12-18)33(49,50)51/h7-15H,1-6H2,(H,52,56)(H,53,57)(H,54,58)
InChIKey LMCAMQADQZYWMS-UHFFFAOYSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,W.UCHIDA,S.TAKEMURA,J.ZHOU,H.AKI,T.MIYATA, K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,60,408(2012)
Literature Reference DOI 10.1248/cpb.60.408
Molecular Weight 866.550 g/mol
Source File Reference UWBT4330