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N,N''-(1R,2R)-1,2-CYCLOHEXANE-DIYL-BIS-N'-(3,4-DIMETHOXYPHENYL)-THIOUREA
SpectraBase Compound ID EsYzHXoIjiH
InChI InChI=1S/C24H32N4O4S2/c1-29-19-11-9-15(13-21(19)31-3)25-23(33)27-17-7-5-6-8-18(17)28-24(34)26-16-10-12-20(30-2)22(14-16)32-4/h9-14,17-18H,5-8H2,1-4H3,(H2,25,27,33)(H2,26,28,34)/t17-,18-/m1/s1
InChIKey ZHLHGXDOVBWPIE-QZTJIDSGSA-N
Mol Weight 504.7 g/mol
Molecular Formula C24H32N4O4S2
Exact Mass 504.186498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHXMl7G28T0
Name N,N''-(1R,2R)-1,2-CYCLOHEXANE-DIYL-BIS-N'-(3,4-DIMETHOXYPHENYL)-THIOUREA
Compound Number 7CC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32N4O4S2
InChI InChI=1S/C24H32N4O4S2/c1-29-19-11-9-15(13-21(19)31-3)25-23(33)27-17-7-5-6-8-18(17)28-24(34)26-16-10-12-20(30-2)22(14-16)32-4/h9-14,17-18H,5-8H2,1-4H3,(H2,25,27,33)(H2,26,28,34)/t17-,18-/m1/s1
InChIKey ZHLHGXDOVBWPIE-QZTJIDSGSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,M.OISHI,T.MIYATA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,56,1052(2008)
Literature Reference DOI 10.1248/cpb.56.1052
Molecular Weight 504.662 g/mol
Sample ID 2019
Solvent CDCl3