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3,4,6-TRI-O-(4-CHLOROBENZYL)-ALPHA-D-ARABINO-HEXOPYRANOS-2-ULOSYL-BROMIDE
SpectraBase Compound ID HHgOGqZ4M9L
InChI InChI=1S/C27H24BrCl3O5/c28-27-24(32)26(35-15-19-5-11-22(31)12-6-19)25(34-14-18-3-9-21(30)10-4-18)23(36-27)16-33-13-17-1-7-20(29)8-2-17/h1-12,23,25-27H,13-16H2/t23-,25-,26-,27+/m1/s1
InChIKey YBHQVWLUSUNYTM-WSEBHVOGSA-N
Mol Weight 614.75 g/mol
Molecular Formula C27H24BrCl3O5
Exact Mass 611.98727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HHhmrMNb9t
Name 3,4,6-TRI-O-(4-CHLOROBENZYL)-ALPHA-D-ARABINO-HEXOPYRANOS-2-ULOSYL-BROMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24BrCl3O5
InChI InChI=1S/C27H24BrCl3O5/c28-27-24(32)26(35-15-19-5-11-22(31)12-6-19)25(34-14-18-3-9-21(30)10-4-18)23(36-27)16-33-13-17-1-7-20(29)8-2-17/h1-12,23,25-27H,13-16H2/t23-,25-,26-,27+/m1/s1
InChIKey YBHQVWLUSUNYTM-WSEBHVOGSA-N
Literature Reference Author M.NITZ,D.R.BUNDLE
Literature Reference Citation J.ORG.CHEM.,66,8411(2001)
Literature Reference DOI 10.1021/jo010570x
Molecular Weight 614.748 g/mol
Solvent CDCl3
Source File Reference UWLU29147