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VXQDYXNYRWBRHY-NOSPQRANSA-N
SpectraBase Compound ID Apdu2JMLL2s
InChI InChI=1S/C22H16N2O.C2HF3O2/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;3-2(4,5)1(6)7/h1-15,17H;(H,6,7)/b22-21-,24-17-;
InChIKey VXQDYXNYRWBRHY-NOSPQRANSA-N
Mol Weight 438.41 g/mol
Molecular Formula C24H17F3N2O3
Exact Mass 438.119127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oV1FheFivR
Name VXQDYXNYRWBRHY-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 C24H17F3N2O3
InChI InChI=1S/C22H16N2O.C2HF3O2/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;3-2(4,5)1(6)7/h1-15,17H;(H,6,7)/b22-21-,24-17-;
InChIKey VXQDYXNYRWBRHY-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 438.406 g/mol
Solvent CDCl3
Source File Reference UWCS6431