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(S,S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1S,2S)-2-(2,4-DIMETHOXYPHENYLAMINO)-CYCLOHEXYL]-THIOUREA

View entire compound with spectra: 1 NMR

(S,S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1S,2S)-2-(2,4-DIMETHOXYPHENYLAMINO)-CYCLOHEXYL]-THIOUREA
SpectraBase Compound ID 1wHUZoUVdnT
InChI InChI=1S/C23H25F6N3O2S/c1-33-16-7-8-19(20(12-16)34-2)31-17-5-3-4-6-18(17)32-21(35)30-15-10-13(22(24,25)26)9-14(11-15)23(27,28)29/h7-12,17-18,31H,3-6H2,1-2H3,(H2,30,32,35)/t17-,18-/m0/s1
InChIKey UORLUULANVXZOQ-ROUUACIJSA-N
Mol Weight 521.52 g/mol
Molecular Formula C23H25F6N3O2S
Exact Mass 521.157167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy02wgWcmGa
Name (S,S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1S,2S)-2-(2,4-DIMETHOXYPHENYLAMINO)-CYCLOHEXYL]-THIOUREA
Compound Number (S ,S)-#1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25F6N3O2S
InChI InChI=1S/C23H25F6N3O2S/c1-33-16-7-8-19(20(12-16)34-2)31-17-5-3-4-6-18(17)32-21(35)30-15-10-13(22(24,25)26)9-14(11-15)23(27,28)29/h7-12,17-18,31H,3-6H2,1-2H3,(H2,30,32,35)/t17-,18-/m0/s1
InChIKey UORLUULANVXZOQ-ROUUACIJSA-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 521.521 g/mol
Sample ID 72685
Solvent DMSO-D6