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(R,R)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1R,2R)-2-(PHENYLAMINO)-CYCLOHEXYL]-THIOUREA

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(R,R)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1R,2R)-2-(PHENYLAMINO)-CYCLOHEXYL]-THIOUREA
SpectraBase Compound ID 756IKz8yCgr
InChI InChI=1S/C21H21F6N3S/c22-20(23,24)13-10-14(21(25,26)27)12-16(11-13)29-19(31)30-18-9-5-4-8-17(18)28-15-6-2-1-3-7-15/h1-3,6-7,10-12,17-18,28H,4-5,8-9H2,(H2,29,30,31)/t17-,18-/m1/s1
InChIKey OFTKRKMWEJBCNR-QZTJIDSGSA-N
Mol Weight 461.47 g/mol
Molecular Formula C21H21F6N3S
Exact Mass 461.136038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdO1B5drQ8K
Name (R,R)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1R,2R)-2-(PHENYLAMINO)-CYCLOHEXYL]-THIOUREA
Compound Number (R,R)-#1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21F6N3S
InChI InChI=1S/C21H21F6N3S/c22-20(23,24)13-10-14(21(25,26)27)12-16(11-13)29-19(31)30-18-9-5-4-8-17(18)28-15-6-2-1-3-7-15/h1-3,6-7,10-12,17-18,28H,4-5,8-9H2,(H2,29,30,31)/t17-,18-/m1/s1
InChIKey OFTKRKMWEJBCNR-QZTJIDSGSA-N
Literature Reference Author K.YOSHIDA,T.INOKUMA,K.TAKASU,Y.TAKEMOTO
Literature Reference Citation MOLECULES,15,8305(2010)
Literature Reference DOI 10.3390/molecules15118305
Molecular Weight 461.468 g/mol
Sample ID 72681
Solvent DMSO-D6