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(2R,3S)-5,5-BIS-[5-[(2,4-OXO-5-IMIDAZOLIDINYLIDENE)-METHYL]-FURAN-2-YL]-PENTANE-1,2,3-TRIOL
SpectraBase Compound ID IEEs2MiFaWI
InChI InChI=1S/C21H20N4O9/c26-8-15(28)14(27)7-11(16-3-1-9(33-16)5-12-18(29)24-20(31)22-12)17-4-2-10(34-17)6-13-19(30)25-21(32)23-13/h1-6,11,14-15,26-28H,7-8H2,(H2,22,24,29,31)(H2,23,25,30,32)/b12-5-,13-6-/t14-,15+/m1/s1
InChIKey DQQAKCYWSAGWHR-GKXIQUEBSA-N
Mol Weight 472.41 g/mol
Molecular Formula C21H20N4O9
Exact Mass 472.123028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrqO69aQp3U
Name (2R,3S)-5,5-BIS-[5-[(2,4-OXO-5-IMIDAZOLIDINYLIDENE)-METHYL]-FURAN-2-YL]-PENTANE-1,2,3-TRIOL
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4O9
InChI InChI=1S/C21H20N4O9/c26-8-15(28)14(27)7-11(16-3-1-9(33-16)5-12-18(29)24-20(31)22-12)17-4-2-10(34-17)6-13-19(30)25-21(32)23-13/h1-6,11,14-15,26-28H,7-8H2,(H2,22,24,29,31)(H2,23,25,30,32)/b12-5-,13-6-/t14-,15+/m1/s1
InChIKey DQQAKCYWSAGWHR-GKXIQUEBSA-N
Literature Reference Author A.A.EL-BARBARY,A.I.KHODAIR,E.B.PEDERSEN
Literature Reference Citation J.ORG.CHEM.,58,5994(1993)
Literature Reference DOI 10.1021/jo00074a028
Molecular Weight 472.411 g/mol
Solvent CD3OD
Source File Reference UWSP838