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(TRANS,TRANS)-N-(3,5-BISTRIFLUOROMETHYLBENZYL)-1-PHENYL-3-PYRROL-1-YLINDAN-2-CARBOXYAMIDE
SpectraBase Compound ID 2X6YbW0r3ew
InChI InChI=1S/C29H22F6N2O/c30-28(31,32)20-14-18(15-21(16-20)29(33,34)35)17-36-27(38)25-24(19-8-2-1-3-9-19)22-10-4-5-11-23(22)26(25)37-12-6-7-13-37/h1-16,24-26H,17H2,(H,36,38)/t24-,25+,26+/m0/s1
InChIKey BGMICAVDNYAWHM-JIMJEQGWSA-N
Mol Weight 528.5 g/mol
Molecular Formula C29H22F6N2O
Exact Mass 528.163632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxK7fITurCo
Name (TRANS,TRANS)-N-(3,5-BISTRIFLUOROMETHYLBENZYL)-1-PHENYL-3-PYRROL-1-YLINDAN-2-CARBOXYAMIDE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22F6N2O
InChI InChI=1S/C29H22F6N2O/c30-28(31,32)20-14-18(15-21(16-20)29(33,34)35)17-36-27(38)25-24(19-8-2-1-3-9-19)22-10-4-5-11-23(22)26(25)37-12-6-7-13-37/h1-16,24-26H,17H2,(H,36,38)/t24-,25+,26+/m0/s1
InChIKey BGMICAVDNYAWHM-JIMJEQGWSA-N
Literature Reference Author J.GUILLON,P.DALLEMAGNE,J.M.LEGER,J.SOPKOVA,P.R.BOVY,C.JARRY, S.RAULT
Literature Reference Citation BIOORG.MED.CHEM.,10,1043(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00360-1
Molecular Weight 528.497 g/mol
Solvent CDCl3
Source File Reference UWLU31012