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1-[N-BENZYLOXYCARBONYL-(1S)-1-AMINO-3,3-DIFLUORO-3-ETHOXYCARBONYLPROPYL]-4-METHYL-2,6,7-TRIOXABICYCLO-[2.2.2]-OCTANE
SpectraBase Compound ID 3zxV7Ub6Ley
InChI InChI=1S/C20H25F2NO7/c1-3-26-16(24)19(21,22)9-15(20-28-11-18(2,12-29-20)13-30-20)23-17(25)27-10-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,23,25)/t15-,18?,20?/m0/s1
InChIKey MJPYQMGUYIKHHJ-IJNIYJAUSA-N
Mol Weight 429.42 g/mol
Molecular Formula C20H25F2NO7
Exact Mass 429.159908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bHF9iYudUo
Name 1-[N-BENZYLOXYCARBONYL-(1S)-1-AMINO-3,3-DIFLUORO-3-ETHOXYCARBONYLPROPYL]-4-METHYL-2,6,7-TRIOXABICYCLO-[2.2.2]-OCTANE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25F2NO7
InChI InChI=1S/C20H25F2NO7/c1-3-26-16(24)19(21,22)9-15(20-28-11-18(2,12-29-20)13-30-20)23-17(25)27-10-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,23,25)/t15-,18?,20?/m0/s1
InChIKey MJPYQMGUYIKHHJ-IJNIYJAUSA-N
Literature Reference Author Y.DING,J.WANG,K.A.ABBOUD,Y.XU,W.R.DOLBIER,N.G.J.RICHARDS
Literature Reference Citation J.ORG.CHEM.,66,6381(2001)
Literature Reference DOI 10.1021/jo015754q
Molecular Weight 429.418 g/mol
Solvent CDCl3
Source File Reference UWVN24742