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MAJOR-ISOMER

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MAJOR-ISOMER
SpectraBase Compound ID 9s1S0dz4sCL
InChI InChI=1S/C17H10N4O7.Na/c22-17-11-7-9(19(23)24)3-4-10(11)14-12(17)8-13(20(25)26)15(16(14)21(27)28)18-5-1-2-6-18;/h1-8,15-16H;/q;+1
InChIKey XOWGOHJVAWCION-UHFFFAOYSA-N
Mol Weight 405.28 g/mol
Molecular Formula C17H10N4NaO7
Exact Mass 405.044718 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvTcFZDyDlc
Name MAJOR-ISOMER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H10N4NaO7
InChI InChI=1S/C17H10N4O7.Na/c22-17-11-7-9(19(23)24)3-4-10(11)14-12(17)8-13(20(25)26)15(16(14)21(27)28)18-5-1-2-6-18;/h1-8,15-16H;/q;+1
InChIKey XOWGOHJVAWCION-UHFFFAOYSA-N
Literature Reference Author K.HOSHINO,N.OZAWA,H.KOKADO,H.SEKI,T.TOKUNAGA,T.ISHIKAWA
Literature Reference Citation J.ORG.CHEM.,64,4572(1999)
Literature Reference DOI 10.1021/jo9904361
Solvent CH3CN
Source File Reference UWLU58054