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DIASTEREOMER-#A
SpectraBase Compound ID B360NvAOTmC
InChI InChI=1S/C16H23N4O4.C6H3N3O7/c1-19(2)13(20(3)4)8-7-9-16(11-18,15(22)24-6)12(10-17)14(21)23-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,12H,9H2,1-6H3;1-2,10H/q+1;/p-1/b8-7+;
InChIKey OGNFUDKPIIMXPM-USRGLUTNSA-M
Mol Weight 563.48 g/mol
Molecular Formula C22H25N7O11
Exact Mass 563.161205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ttwh1UEOs1
Name DIASTEREOMER-#B
CAS Registry Number 140111-42-8
Compound Number 9-PICRATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N7O11
InChI InChI=1S/C16H23N4O4.C6H3N3O7/c1-19(2)13(20(3)4)8-7-9-16(11-18,15(22)24-6)12(10-17)14(21)23-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,12H,9H2,1-6H3;1-2,10H/q+1;/p-1/b8-7+;
InChIKey OGNFUDKPIIMXPM-USRGLUTNSA-M
Literature Reference Author R.SUSTMANN,M.ROGGE,U.NUECHTER,H.BANDMANN
Literature Reference Citation CHEM.BER.,125,1657(1992)
Literature Reference DOI 10.1002/cber.19921250722
Molecular Weight 563.481 g/mol
Solvent ACETONE-D6
Source File Reference UWCS8735