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N,N''-(1R,2R)-1,2-CYCLOHEXANE-DIYL-BIS-[N'-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YL-THIOUREA]
SpectraBase Compound ID GM0vKUfqfvb
InChI InChI=1S/C28H44N4S2/c33-25(31-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(34)32-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H2,29,31,33)(H2,30,32,34)/t17-,18+,19-,20-,21+,22-,23-,24-,27-,28-/m1/s1
InChIKey RCFXPLPUFQOHFY-ZBKVQHGRSA-N
Mol Weight 500.8 g/mol
Molecular Formula C28H44N4S2
Exact Mass 500.30074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wwOt9GKBSL
Name N,N''-(1R,2R)-1,2-CYCLOHEXANE-DIYL-BIS-[N'-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YL-THIOUREA]
Compound Number 7BB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44N4S2
InChI InChI=1S/C28H44N4S2/c33-25(31-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(34)32-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H2,29,31,33)(H2,30,32,34)/t17-,18+,19-,20-,21+,22-,23-,24-,27-,28-/m1/s1
InChIKey RCFXPLPUFQOHFY-ZBKVQHGRSA-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 500.804 g/mol
Sample ID 2017
Solvent DMSO-D6