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5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester

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5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID GWbsnRxX5Zi
InChI InChI=1S/C29H31F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,17-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey QHLSOQNFIGWCOI-UHFFFAOYSA-N
Mol Weight 620.58 g/mol
Molecular Formula C29H31F3N4O8
Exact Mass 620.209398 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJJ3u3gYHR3
Name 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31F3N4O8
InChI InChI=1S/C29H31F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,17-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey QHLSOQNFIGWCOI-UHFFFAOYSA-N
Literature Reference Author M.MORONI,B.KOKSCH,S.N.OSIPOV,M.CRUCIANELLI,M.FRIGERIO,P.BRAV O,K.BURGER
Literature Reference Citation J.ORG.CHEM.,66,130(2001)
Literature Reference DOI 10.1021/jo0009043
Solvent CDCl3
Source File Reference UWMS28105