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(1E,2E)-1-(4-CHLOROPHENYL)-1,2-BIS-(ETHOXYCARBONYL)-D-GLUCOSAZONE
SpectraBase Compound ID BrkYv3TK26u
InChI InChI=1S/C26H33ClN4O12/c1-7-38-25(36)30-29-21(13-28-31(26(37)39-8-2)20-11-9-19(27)10-12-20)23(42-17(5)34)24(43-18(6)35)22(41-16(4)33)14-40-15(3)32/h9-13,22-24H,7-8,14H2,1-6H3,(H,30,36)/b28-13+,29-21+/t22-,23-,24+/m0/s1
InChIKey ZQOKRZWYSGLXKF-VMYSTUOPSA-N
Mol Weight 629.0 g/mol
Molecular Formula C26H33ClN4O12
Exact Mass 628.17835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDuBFrrQdOc
Name (1E,2E)-1-(4-CHLOROPHENYL)-1,2-BIS-(ETHOXYCARBONYL)-D-GLUCOSAZONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33ClN4O12
InChI InChI=1S/C26H33ClN4O12/c1-7-38-25(36)30-29-21(13-28-31(26(37)39-8-2)20-11-9-19(27)10-12-20)23(42-17(5)34)24(43-18(6)35)22(41-16(4)33)14-40-15(3)32/h9-13,22-24H,7-8,14H2,1-6H3,(H,30,36)/b28-13+,29-21+/t22-,23-,24+/m0/s1
InChIKey ZQOKRZWYSGLXKF-VMYSTUOPSA-N
Literature Reference Author M.AVALOS,R.BABIANO,P.CINTAS,F.R.CLEMENTE,R.GORGILLO,M.B.HURS THOUSE,J.L.JIMENEZ,M
Literature Reference Citation J.ORG.CHEM.,67,2378(2002)
Literature Reference DOI 10.1021/jo0163391
Molecular Weight 629.021 g/mol
Solvent CDCl3
Source File Reference UWLU25541