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TETRAETHYL-2,2'-(3,3'-THIOBIS-[1-(4-METHOXYPHENYL)-2-OXO-4-PHENYLAZETIDIN-3-YL])-BIS-(PROPANEDIOATE)
SpectraBase Compound ID A5BTA24w8PX
InChI InChI=1S/C46H48N2O12S/c1-7-57-39(49)35(40(50)58-8-2)45(37(29-17-13-11-14-18-29)47(43(45)53)31-21-25-33(55-5)26-22-31)61-46(36(41(51)59-9-3)42(52)60-10-4)38(30-19-15-12-16-20-30)48(44(46)54)32-23-27-34(56-6)28-24-32/h11-28,35-38H,7-10H2,1-6H3/t37-,38+,45-,46+
InChIKey KTBGLCLQLWNEKJ-LBPXOWRFSA-N
Mol Weight 853.0 g/mol
Molecular Formula C46H48N2O12S
Exact Mass 852.292796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fa0p7Nmn03k
Name TETRAETHYL-2,2'-(3,3'-THIOBIS-[1-(4-METHOXYPHENYL)-2-OXO-4-PHENYLAZETIDIN-3-YL])-BIS-(PROPANEDIOATE)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H48N2O12S
InChI InChI=1S/C46H48N2O12S/c1-7-57-39(49)35(40(50)58-8-2)45(37(29-17-13-11-14-18-29)47(43(45)53)31-21-25-33(55-5)26-22-31)61-46(36(41(51)59-9-3)42(52)60-10-4)38(30-19-15-12-16-20-30)48(44(46)54)32-23-27-34(56-6)28-24-32/h11-28,35-38H,7-10H2,1-6H3/t37-,38+,45-,46+
InChIKey KTBGLCLQLWNEKJ-LBPXOWRFSA-N
Literature Reference Author S.GUERTLER,M.JOHNER,S.RUF,H.H.OTTO
Literature Reference Citation HELV.CHIM.ACTA,76,2958(1993)
Literature Reference DOI 10.1002/hlca.19930760820
Molecular Weight 852.953 g/mol
Solvent CDCl3
Source File Reference UWCS21115