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1-[N-BENZYLOXYCARBONYL-(1S,2R/S)-1-AMINO-3,3-DIFLUORO-3-ETHOXYCARBONYL-4-HYDROXYPROPYL]-4-METHYL-2,6,7-TRIOXABICYCLO-[2.2.2]-OCTANE

View entire compound with spectra: 1 NMR

1-[N-BENZYLOXYCARBONYL-(1S,2R/S)-1-AMINO-3,3-DIFLUORO-3-ETHOXYCARBONYL-4-HYDROXYPROPYL]-4-METHYL-2,6,7-TRIOXABICYCLO-[2.2.2]-OCTANE
SpectraBase Compound ID 4aStWOHWGn5
InChI InChI=1S/C20H25F2NO8/c1-3-27-16(25)19(21,22)15(24)14(20-29-10-18(2,11-30-20)12-31-20)23-17(26)28-9-13-7-5-4-6-8-13/h4-8,14-15,24H,3,9-12H2,1-2H3,(H,23,26)/t14-,15?,18?,20?/m0/s1
InChIKey MBMSCJGFRXDCJB-UVADMXLWSA-N
Mol Weight 445.42 g/mol
Molecular Formula C20H25F2NO8
Exact Mass 445.154823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5stcb4dJkAe
Name 1-[N-BENZYLOXYCARBONYL-(1S,2R/S)-1-AMINO-3,3-DIFLUORO-3-ETHOXYCARBONYL-4-HYDROXYPROPYL]-4-METHYL-2,6,7-TRIOXABICYCLO-[2.2.2]-OCTANE
Compound Number 21A+21B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25F2NO8
InChI InChI=1S/C20H25F2NO8/c1-3-27-16(25)19(21,22)15(24)14(20-29-10-18(2,11-30-20)12-31-20)23-17(26)28-9-13-7-5-4-6-8-13/h4-8,14-15,24H,3,9-12H2,1-2H3,(H,23,26)/t14-,15?,18?,20?/m0/s1
InChIKey MBMSCJGFRXDCJB-UVADMXLWSA-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 445.417 g/mol
Solvent CDCl3
Source File Reference UWVN24740