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KRCQENBAIYVZFG-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

KRCQENBAIYVZFG-UHFFFAOYSA-N
SpectraBase Compound ID 3GFAVnkUNbw
InChI InChI=1S/C12H20N4O6.C2HF3O2/c1-22-12(21)3-2-8(17)5-14-10(19)7-16-11(20)6-15-9(18)4-13;3-2(4,5)1(6)7/h2-7,13H2,1H3,(H,14,19)(H,15,18)(H,16,20);(H,6,7)
InChIKey KRCQENBAIYVZFG-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C14H21F3N4O8
Exact Mass 430.131148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGXyb7LhGDM
Name KRCQENBAIYVZFG-UHFFFAOYSA-N
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21F3N4O8
InChI InChI=1S/C12H20N4O6.C2HF3O2/c1-22-12(21)3-2-8(17)5-14-10(19)7-16-11(20)6-15-9(18)4-13;3-2(4,5)1(6)7/h2-7,13H2,1H3,(H,14,19)(H,15,18)(H,16,20);(H,6,7)
InChIKey KRCQENBAIYVZFG-UHFFFAOYSA-N
Literature Reference Author Y.BERGER,L.INGRASSIA,R.NEIER,L.JUILLERAT-JEANNERET
Literature Reference Citation BIOORG.MED.CHEM.,11,1343(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00619-3
Molecular Weight 430.338 g/mol
Sample ID 29259
Solvent CD3OD