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DMIZVJMTHZSHCV-IPZCTEOASA-M
SpectraBase Compound ID B6i7cmRsDJF
InChI InChI=1S/C14H17N6.C6H3N3O7/c1-19(2)13(20(3)4)6-5-7-14(10-17,11-18)12(8-15)9-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,12H,7H2,1-4H3;1-2,10H/q+1;/p-1/b6-5+;
InChIKey DMIZVJMTHZSHCV-IPZCTEOASA-M
Mol Weight 497.43 g/mol
Molecular Formula C20H19N9O7
Exact Mass 497.140744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rxwLjNNBdl
Name DMIZVJMTHZSHCV-IPZCTEOASA-M
CAS Registry Number 129137-98-0
Compound Number 5-PICRATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19N9O7
InChI InChI=1S/C14H17N6.C6H3N3O7/c1-19(2)13(20(3)4)6-5-7-14(10-17,11-18)12(8-15)9-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,12H,7H2,1-4H3;1-2,10H/q+1;/p-1/b6-5+;
InChIKey DMIZVJMTHZSHCV-IPZCTEOASA-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 497.427 g/mol
Solvent CD3CN
Source File Reference UWCS8730