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4,6-O-BENZYLIDENE-2-O-CHLOROACETYL-3-O-(N-PHENYLCARBAMOYL)-BETA-D-GLUCOPYRANOSYL-(N-PHENYL)-TRIFLUOROACETIMIDATE
SpectraBase Compound ID 9j2Y9nRc3zE
InChI InChI=1S/C30H26ClF3N2O8/c31-16-22(37)41-25-24(43-29(38)36-20-14-8-3-9-15-20)23-21(17-39-26(42-23)18-10-4-1-5-11-18)40-27(25)44-28(30(32,33)34)35-19-12-6-2-7-13-19/h1-15,21,23-27H,16-17H2,(H,36,38)/b35-28+/t21-,23-,24+,25-,26-,27+/m0/s1
InChIKey GCTOASBBZBPDAX-VJOKLSKFSA-N
Mol Weight 634.99 g/mol
Molecular Formula C30H26ClF3N2O8
Exact Mass 634.132978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeIurkwViIP
Name 4,6-O-BENZYLIDENE-2-O-CHLOROACETYL-3-O-(N-PHENYLCARBAMOYL)-BETA-D-GLUCOPYRANOSYL-(N-PHENYL)-TRIFLUOROACETIMIDATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26ClF3N2O8
InChI InChI=1S/C30H26ClF3N2O8/c31-16-22(37)41-25-24(43-29(38)36-20-14-8-3-9-15-20)23-21(17-39-26(42-23)18-10-4-1-5-11-18)40-27(25)44-28(30(32,33)34)35-19-12-6-2-7-13-19/h1-15,21,23-27H,16-17H2,(H,36,38)/b35-28+/t21-,23-,24+,25-,26-,27+/m0/s1
InChIKey GCTOASBBZBPDAX-VJOKLSKFSA-N
Literature Reference Author D.OTT,J.SEIFERT,I.PRAHL,M.NIEMIETZ,J.HOFFMAN,J.GUDER,M.MOENN ICH,C.UNVERZAGT
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5054(2012)
Literature Reference DOI 10.1002/ejoc.201200468
Molecular Weight 634.993 g/mol
Solvent CDCl3
Source File Reference UWLU84143