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MIXTURE_OF_ISOMERS

View entire compound with spectra: 2 NMR

MIXTURE_OF_ISOMERS
SpectraBase Compound ID 1c1HovSVFO2
InChI InChI=1S/2C17H13FN5O7.2C6H15N/c2*18-10-3-1-9(2-4-10)7-11(17-19-5-6-29-17)14-12(21(24)25)8-13(22(26)27)15-16(14)23(28)30-20-15;2*1-4-7(5-2)6-3/h2*1-4,8,11,14H,5-7H2;2*4-6H2,1-3H3/q2*-1;;/p+2
InChIKey WSVNDSINQQEOSL-UHFFFAOYSA-P
Mol Weight 1041.04 g/mol
Molecular Formula C46H58F2N12O14
Exact Mass 1040.416351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9GO2k3bGqq
Name MIXTURE_OF_ISOMERS
Compound Number 5-OC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H58F2N12O14
InChI InChI=1S/2C17H13FN5O7.2C6H15N/c2*18-10-3-1-9(2-4-10)7-11(17-19-5-6-29-17)14-12(21(24)25)8-13(22(26)27)15-16(14)23(28)30-20-15;2*1-4-7(5-2)6-3/h2*1-4,8,11,14H,5-7H2;2*4-6H2,1-3H3/q2*-1;;/p+2
InChIKey WSVNDSINQQEOSL-UHFFFAOYSA-P
Literature Reference Author J.C.CHERTON,S.HAMM,M.J.POUET,J.C.HALLE,F.TERRIER
Literature Reference Citation J.CHEM.SOC.PERKIN-2,871(2002)
Literature Reference DOI 10.1039/b201045n
Molecular Weight 1041.035 g/mol
Solvent DMSO-D6
Source File Reference UWMZ22242