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BIS-(METHYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-ALLOPYRANOSID-2-YL)-TEREPHTHALATE
SpectraBase Compound ID 8Sl5N4PePi7
InChI InChI=1S/C36H38O14/c1-41-35-29(25(37)27-23(45-35)17-43-33(49-27)21-9-5-3-6-10-21)47-31(39)19-13-15-20(16-14-19)32(40)48-30-26(38)28-24(46-36(30)42-2)18-44-34(50-28)22-11-7-4-8-12-22/h3-16,23-30,33-38H,17-18H2,1-2H3/t23-,24-,25-,26-,27-,28-,29-,30-,33-,34-,35+,36+/m1/s1
InChIKey AIFRVUWYDWYJHC-GUMXXGCYSA-N
Mol Weight 694.7 g/mol
Molecular Formula C36H38O14
Exact Mass 694.226156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Esvk6tvtEJt
Name BIS-(METHYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-ALLOPYRANOSID-2-YL)-TEREPHTHALATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38O14
InChI InChI=1S/C36H38O14/c1-41-35-29(25(37)27-23(45-35)17-43-33(49-27)21-9-5-3-6-10-21)47-31(39)19-13-15-20(16-14-19)32(40)48-30-26(38)28-24(46-36(30)42-2)18-44-34(50-28)22-11-7-4-8-12-22/h3-16,23-30,33-38H,17-18H2,1-2H3/t23-,24-,25-,26-,27-,28-,29-,30-,33-,34-,35+,36+/m1/s1
InChIKey AIFRVUWYDWYJHC-GUMXXGCYSA-N
Literature Reference Author H.NAMAZI,T.B.GRINDLEY
Literature Reference Citation CAN.J.CHEM.,75,983(1997)
Literature Reference DOI 10.1139/v97-118
Molecular Weight 694.689 g/mol
Solvent CDCl3
Source File Reference UWCP2478