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2-AMINO-8-METHYL-4,9-DIOXO-7-METHYL-PARA-AMINOBENZOYLGLUTAMATE-6,7,8,9-TETRAHYDRO-4H-PYRAZINO-(1,2-A)-S-TRIAZINE
SpectraBase Compound ID Cr6U0cVUWpH
InChI InChI=1S/C20H23N7O7/c1-26-12(9-27-15(17(26)31)24-19(21)25-20(27)34)8-22-11-4-2-10(3-5-11)16(30)23-13(18(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,23,30)(H,28,29)(H,32,33)(H2,21,25,34)
InChIKey AFIMZPFBSYESNQ-UHFFFAOYSA-N
Mol Weight 473.45 g/mol
Molecular Formula C20H23N7O7
Exact Mass 473.165896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ANy588dsYw
Name 2-AMINO-8-METHYL-4,9-DIOXO-7-METHYL-PARA-AMINOBENZOYLGLUTAMATE-6,7,8,9-TETRAHYDRO-4H-PYRAZINO-(1,2-A)-S-TRIAZINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23N7O7
InChI InChI=1S/C20H23N7O7/c1-26-12(9-27-15(17(26)31)24-19(21)25-20(27)34)8-22-11-4-2-10(3-5-11)16(30)23-13(18(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,23,30)(H,28,29)(H,32,33)(H2,21,25,34)
InChIKey AFIMZPFBSYESNQ-UHFFFAOYSA-N
Literature Reference Author P.H.C.J.VERLINDE,I.OEY,W.M.DEBORGGRAEVE,M.E.HENDRICKX,A.M.V. LOEY
Literature Reference Citation J.AGR.FOOD.CHEM.,57,6803(2009)
Literature Reference DOI 10.1021/jf900832g
Molecular Weight 473.445 g/mol
Sample ID 68090
Solvent DMSO-D6