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(R/S)-2-[(R)-2-TERT.-BUTOXYCARBONYL-2-(FLUOREN-9-YLMETHOXYCARBONYLAMINO)-ETHYLSULFANYL]-3-(TRIPHENYLMETHYLAMINO)-PROPIONIC-ACID-ALLYLESTER
SpectraBase Compound ID rwe6MS7ELR
InChI InChI=1S/2C47H48N2O6S/c2*1-5-29-53-44(51)42(30-48-47(33-19-9-6-10-20-33,34-21-11-7-12-22-34)35-23-13-8-14-24-35)56-32-41(43(50)55-46(2,3)4)49-45(52)54-31-40-38-27-17-15-25-36(38)37-26-16-18-28-39(37)40/h2*5-28,40-42,48H,1,29-32H2,2-4H3,(H,49,52)/t2*41-,42?/m00/s1
InChIKey SFHLRGPKDJHVAS-CLQLJADDSA-N
Mol Weight 1537.9 g/mol
Molecular Formula C94H96N4O12S2
Exact Mass 1536.646617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CismqJsJVP
Name (R/S)-2-[(R)-2-TERT.-BUTOXYCARBONYL-2-(FLUOREN-9-YLMETHOXYCARBONYLAMINO)-ETHYLSULFANYL]-3-(TRIPHENYLMETHYLAMINO)-PROPIONIC-ACID-ALLYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C94H96N4O12S2
InChI InChI=1S/2C47H48N2O6S/c2*1-5-29-53-44(51)42(30-48-47(33-19-9-6-10-20-33,34-21-11-7-12-22-34)35-23-13-8-14-24-35)56-32-41(43(50)55-46(2,3)4)49-45(52)54-31-40-38-27-17-15-25-36(38)37-26-16-18-28-39(37)40/h2*5-28,40-42,48H,1,29-32H2,2-4H3,(H,49,52)/t2*41-,42?/m00/s1
InChIKey SFHLRGPKDJHVAS-CLQLJADDSA-N
Literature Reference Author M.F.M.MUSTAPA,R.HARRIS,N.BULIC-SUBANOVIC,S.L.ELLIOTT,S.BREGA NT,M.F.A.GROUSSIER,J
Literature Reference Citation J.ORG.CHEM.,68,8185(2003)
Literature Reference DOI 10.1021/jo0346398
Molecular Weight 1537.936 g/mol
Solvent CDCl3
Source File Reference UWVN21004