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CIS-2-(4-CHLOROPHENYL)-2-{3-[1-(2,3-DIHYDROXY-PROPYL)-2-IMIDAZOLYL]-PROPYL}-4-BENZYLOXYMETHYL-1,3-DIOXOLANE
SpectraBase Compound ID GDkWJ3mci9k
InChI InChI=1S/C26H31ClN2O5/c27-22-10-8-21(9-11-22)26(12-4-7-25-28-13-14-29(25)15-23(31)16-30)33-19-24(34-26)18-32-17-20-5-2-1-3-6-20/h1-3,5-6,8-11,13-14,23-24,30-31H,4,7,12,15-19H2/t23?,24-,26-/m0/s1
InChIKey XIWYAKHTARNXPM-VNNQTNQMSA-N
Mol Weight 487.0 g/mol
Molecular Formula C26H31ClN2O5
Exact Mass 486.19215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnfCxgRw8mB
Name CIS-2-(4-CHLOROPHENYL)-2-{3-[1-(2,3-DIHYDROXY-PROPYL)-2-IMIDAZOLYL]-PROPYL}-4-BENZYLOXYMETHYL-1,3-DIOXOLANE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31ClN2O5
InChI InChI=1S/C26H31ClN2O5/c27-22-10-8-21(9-11-22)26(12-4-7-25-28-13-14-29(25)15-23(31)16-30)33-19-24(34-26)18-32-17-20-5-2-1-3-6-20/h1-3,5-6,8-11,13-14,23-24,30-31H,4,7,12,15-19H2/t23?,24-,26-/m0/s1
InChIKey XIWYAKHTARNXPM-VNNQTNQMSA-N
Literature Reference Author L.F.HUANG,L.BAUER
Literature Reference Citation J.HETCYCL.CHEM.,34,1123(1997)
Literature Reference DOI 10.1002/jhet.5570340405
Molecular Weight 486.996 g/mol
Solvent CDCl3
Source File Reference UWSW778