John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L8S56NlFuxg SpectraBase Spectrum ID=1kE1asNLr4K

(accessed ).
2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID L8S56NlFuxg
InChI InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35)
InChIKey JLNLJXQFGQWNQH-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C26H34F2N4O8
Exact Mass 568.234471 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kE1asNLr4K
Name 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester
Compound Number 9D
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Formula C26H34F2N4O8
InChI InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35)
InChIKey JLNLJXQFGQWNQH-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 UWMS28107
SpectraBase Batch ID MOmmYGneB8