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KLRPUDUCMXLCJQ-NOSPQRANSA-N
SpectraBase Compound ID 1mN1miCXFqY
InChI InChI=1S/C22H16N2O.FHO3S/c23-16-21(22(25)19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)17-18-10-4-1-5-11-18;1-5(2,3)4/h1-15,17H;(H,2,3,4)/b22-21-,24-17-;
InChIKey KLRPUDUCMXLCJQ-NOSPQRANSA-N
Mol Weight 424.45 g/mol
Molecular Formula C22H17FN2O4S
Exact Mass 424.089306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0TZzLromOH
Name KLRPUDUCMXLCJQ-NOSPQRANSA-N
Compound Number 3'C,(Z-OR-E-ISOMER)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17FN2O4S
InChI InChI=1S/C22H16N2O.FHO3S/c23-16-21(22(25)19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)17-18-10-4-1-5-11-18;1-5(2,3)4/h1-15,17H;(H,2,3,4)/b22-21-,24-17-;
InChIKey KLRPUDUCMXLCJQ-NOSPQRANSA-N
Literature Reference Author M.VAULTIER,G.MULLICK,R.CARRIE
Literature Reference Citation CAN.J.CHEM.,57,2876(1979)
Literature Reference DOI 10.1139/v79-467
Molecular Weight 424.446 g/mol
Solvent CD3CN
Source File Reference UWCS6423