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VPYUCVXQLBLEJQ-HRKWZSCTSA-M

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VPYUCVXQLBLEJQ-HRKWZSCTSA-M
SpectraBase Compound ID IcaiO7qrRBK
InChI InChI=1S/C23H20NO3.C2HF3O2/c1-27-23(26)21(22(25)19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)17-18-11-5-2-6-12-18;3-2(4,5)1(6)7/h2-17,21H,1H3;(H,6,7)/q+1;/p-1/b24-17+;
InChIKey VPYUCVXQLBLEJQ-HRKWZSCTSA-M
Mol Weight 471.43 g/mol
Molecular Formula C25H20F3NO5
Exact Mass 471.129357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOFhk8MkNFg
Name VPYUCVXQLBLEJQ-HRKWZSCTSA-M
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20F3NO5
InChI InChI=1S/C23H20NO3.C2HF3O2/c1-27-23(26)21(22(25)19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)17-18-11-5-2-6-12-18;3-2(4,5)1(6)7/h2-17,21H,1H3;(H,6,7)/q+1;/p-1/b24-17+;
InChIKey VPYUCVXQLBLEJQ-HRKWZSCTSA-M
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 471.433 g/mol
Solvent CDCl3
Source File Reference UWCS6442