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N,N'-BIS-(2,3-DIHYDROXYPROPYL)-3,4-DIHYDROXY-5-IODO-4-METHYL-3-OXO-2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
SpectraBase Compound ID 7kr5nxfuXko
InChI InChI=1S/C17H22IN3O8/c1-21-12(26)7-29-15-11(17(28)20-4-9(25)6-23)2-10(13(18)14(15)21)16(27)19-3-8(24)5-22/h2,8-9,22-25H,3-7H2,1H3,(H,19,27)(H,20,28)
InChIKey DCKPPJLLBTWXBP-UHFFFAOYSA-N
Mol Weight 523.28 g/mol
Molecular Formula C17H22IN3O8
Exact Mass 523.04516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2AzYJqiSgn
Name N,N'-BIS-(2,3-DIHYDROXYPROPYL)-3,4-DIHYDROXY-5-IODO-4-METHYL-3-OXO-2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22IN3O8
InChI InChI=1S/C17H22IN3O8/c1-21-12(26)7-29-15-11(17(28)20-4-9(25)6-23)2-10(13(18)14(15)21)16(27)19-3-8(24)5-22/h2,8-9,22-25H,3-7H2,1H3,(H,19,27)(H,20,28)
InChIKey DCKPPJLLBTWXBP-UHFFFAOYSA-N
Literature Reference Author P.L.ANELLI,M.BROCCHETTA,E.CAPPELLETTI,A.FERRARIS,V.VINCENZI
Literature Reference Citation OPEN.ORG.CHEM.J.,3,35(2009)
Literature Reference DOI 10.2174/1874095200903010035
Molecular Weight 523.281 g/mol
Solvent D2O
Source File Reference UWLU81029