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METHYL-(4R,1'S)-2-[2-(1-BENZYL-1H-IMIDAZOL-4-YL)-1-(TERT.-BUTOXYCARBONYLAMINO)-ETHYL]-4,5-DIHYDROTHIAZOLE-4-CARBOXYLATE
SpectraBase Compound ID 1El0fx3600h
InChI InChI=1S/2C22H28N4O4S/c2*1-22(2,3)30-21(28)25-17(19-24-18(13-31-19)20(27)29-4)10-16-12-26(14-23-16)11-15-8-6-5-7-9-15/h2*5-9,12,14,17-18H,10-11,13H2,1-4H3,(H,25,28)/t2*17-,18-/m00/s1
InChIKey LAUULZROOOBVEJ-VIIMOKPPSA-N
Mol Weight 889.1 g/mol
Molecular Formula C44H56N8O8S2
Exact Mass 888.366253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FT3nRFEXhgR
Name METHYL-(4R,1'S)-2-[2-(1-BENZYL-1H-IMIDAZOL-4-YL)-1-(TERT.-BUTOXYCARBONYLAMINO)-ETHYL]-4,5-DIHYDROTHIAZOLE-4-CARBOXYLATE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H56N8O8S2
InChI InChI=1S/2C22H28N4O4S/c2*1-22(2,3)30-21(28)25-17(19-24-18(13-31-19)20(27)29-4)10-16-12-26(14-23-16)11-15-8-6-5-7-9-15/h2*5-9,12,14,17-18H,10-11,13H2,1-4H3,(H,25,28)/t2*17-,18-/m00/s1
InChIKey LAUULZROOOBVEJ-VIIMOKPPSA-N
Literature Reference Author P.LOOS,C.RONCO,M.RIEDRICH,H.D.ARNDT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,3290(2013)
Literature Reference DOI 10.1002/ejoc.201300160
Molecular Weight 889.097 g/mol
Solvent CDCl3
Source File Reference UWBT20088