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METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITRO-TOLUENESULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-4,7,8-TRI-O-ACETYL-D-GLYCERO

View entire compound with spectra: 1 NMR

METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITRO-TOLUENESULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-4,7,8-TRI-O-ACETYL-D-GLYCERO
SpectraBase Compound ID 1BTxZrlzw1v
InChI InChI=1S/C36H36ClF2N3O15S/c1-19(43)54-27-16-36(35(47)52-4,53-18-23-8-7-9-25(38)30(23)39)57-33(31(27)41-58(50,51)29-11-6-5-10-26(29)42(48)49)32(56-21(3)45)28(55-20(2)44)17-40-34(46)22-12-14-24(37)15-13-22/h5-15,27-28,31-33,41H,16-18H2,1-4H3,(H,40,46)/t27-,28+,31+,32-,33+,36+/m0/s1
InChIKey ZPJIIXWJOJCQSV-CMKNGDNDSA-N
Mol Weight 856.2 g/mol
Molecular Formula C36H36ClF2N3O15S
Exact Mass 855.152373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCg5QgGLINv
Name METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITRO-TOLUENESULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-4,7,8-TRI-O-ACETYL-D-GLYCERO
Compound Number 18C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36ClF2N3O15S
InChI InChI=1S/C36H36ClF2N3O15S/c1-19(43)54-27-16-36(35(47)52-4,53-18-23-8-7-9-25(38)30(23)39)57-33(31(27)41-58(50,51)29-11-6-5-10-26(29)42(48)49)32(56-21(3)45)28(55-20(2)44)17-40-34(46)22-12-14-24(37)15-13-22/h5-15,27-28,31-33,41H,16-18H2,1-4H3,(H,40,46)/t27-,28+,31+,32-,33+,36+/m0/s1
InChIKey ZPJIIXWJOJCQSV-CMKNGDNDSA-N
Literature Reference Author S.MESCH,D.MOSER,D.S.STRASSER,A.KELM,B.CUTTING,G.ROSSATO,A.VE DANI,H.KOLIWER-BRAND
Literature Reference Citation J.MED.CHEM.,53,1597(2010)
Literature Reference DOI 10.1021/jm901517k
Molecular Weight 856.203 g/mol
Solvent CDCl3
Source File Reference UWMZ46782