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#III;(-)-(2S,4R)-N,N'-BIS-(TERT.-BUTOXYCARBONYL)-8-(TERT.-BUTYLDIMETHYLSILOXY)-4-(PARA-METHOXYBENZYLOXY)-2-[(R)-METHOXY-TRIFLUOROMETHYLPHENYLACETOXY]-GUANIDINE
SpectraBase Compound ID 1jYf0qMaJcF
InChI InChI=1S/C43H66F3N3O10Si/c1-39(2,3)58-37(51)48-36(49-38(52)59-40(4,5)6)47-28-34(57-35(50)42(54-11,43(44,45)46)31-19-15-14-16-20-31)27-33(55-29-30-22-24-32(53-10)25-23-30)21-17-18-26-56-60(12,13)41(7,8)9/h14-16,19-20,22-25,33-34H,17-18,21,26-29H2,1-13H3,(H2,47,48,49,51,52)/t33-,34+,42-/m0/s1
InChIKey RFTNMBHALNNXNH-QRNGPGCPSA-N
Mol Weight 870.1 g/mol
Molecular Formula C43H66F3N3O10Si
Exact Mass 869.446956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SbZbG2ijsv
Name #III;(-)-(2S,4R)-N,N'-BIS-(TERT.-BUTOXYCARBONYL)-8-(TERT.-BUTYLDIMETHYLSILOXY)-4-(PARA-METHOXYBENZYLOXY)-2-[(R)-METHOXY-TRIFLUOROMETHYLPHENYLACETOXY]-GUANIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H66F3N3O10Si
InChI InChI=1S/C43H66F3N3O10Si/c1-39(2,3)58-37(51)48-36(49-38(52)59-40(4,5)6)47-28-34(57-35(50)42(54-11,43(44,45)46)31-19-15-14-16-20-31)27-33(55-29-30-22-24-32(53-10)25-23-30)21-17-18-26-56-60(12,13)41(7,8)9/h14-16,19-20,22-25,33-34H,17-18,21,26-29H2,1-13H3,(H2,47,48,49,51,52)/t33-,34+,42-/m0/s1
InChIKey RFTNMBHALNNXNH-QRNGPGCPSA-N
Literature Reference Author S.TSUCHIYA,T.SUNAZUKA,T.HIROSE,R.MORI,T.TANAKA,M.IWATSUKI,S. OMURA
Literature Reference Citation ORG.LETTERS,8,5577(2006)
Literature Reference DOI 10.1021/ol062282z
Molecular Weight 870.092 g/mol
Sample ID 58202
Solvent CDCl3