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N-[(3S)-4-[(tert-butyldimethylsilyl)oxy]-3-[[(4-methylphenyl)sulfonyl]amino]butyl]-N'-[(2R)-1-[(tert-butyldiphenylsilyl)oxy]-5-thiahex-2-yl]thiourea
SpectraBase Compound ID R1Cu6GL48B
InChI InChI=1S/C39H61N3O4S3Si2/c1-31-21-23-34(24-22-31)49(43,44)42-33(30-45-50(9,10)38(2,3)4)25-27-40-37(47)41-32(26-28-48-8)29-46-51(39(5,6)7,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-24,32-33,42H,25-30H2,1-10H3,(H2,40,41,47)/t32?,33-/m1/s1
InChIKey FNFWNGYKWVKHTM-ZHZZGXISSA-N
Mol Weight 788.3 g/mol
Molecular Formula C39H61N3O4S3Si2
Exact Mass 787.336274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtNoMymKQoq
Name N-[(3S)-4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-3-[[(4-METHYLPHENYL)-SULFONYL]-AMINO]-BUTYL]-N'-[(2S)-1-[(TERT.-BUTYLDIPHENYLSILYL)-OXY]-5-THIAHEX-2-YL]-THIOUREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H61N3O4S3Si2
InChI InChI=1S/C39H61N3O4S3Si2/c1-31-21-23-34(24-22-31)49(43,44)42-33(30-45-50(9,10)38(2,3)4)25-27-40-37(47)41-32(26-28-48-8)29-46-51(39(5,6)7,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-24,32-33,42H,25-30H2,1-10H3,(H2,40,41,47)/t32?,33-/m1/s1
InChIKey FNFWNGYKWVKHTM-ZHZZGXISSA-N
Literature Reference Author H.KURZMEIER,F.P.SCHMIDTCHEN
Literature Reference Citation J.ORG.CHEM.,55,3749(1990)
Literature Reference DOI 10.1021/jo00299a013
Molecular Weight 788.282 g/mol
Solvent CDCl3
Source File Reference UWED15137