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1,6-DIHYDRO-6-OXO-alpha,alpha,alpha-TRIFLUORO-1-[m-(TRIFLUOROMETHYL)BENZYL]-m-NICOTINOTOLUIDIDE
SpectraBase Compound ID E4P5UrWQHmJ
InChI InChI=1S/C21H14F6N2O2/c22-20(23,24)15-4-1-3-13(9-15)11-29-12-14(7-8-18(29)30)19(31)28-17-6-2-5-16(10-17)21(25,26)27/h1-10,12H,11H2,(H,28,31)
InChIKey DYXSQTOZHNRXPT-UHFFFAOYSA-N
Mol Weight 440.35 g/mol
Molecular Formula C21H14F6N2O2
Exact Mass 440.095947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JewFYXxS1QR
Name 1,6-DIHYDRO-6-OXO-alpha,alpha,alpha-TRIFLUORO-1-[m-(TRIFLUOROMETHYL)BENZYL]-m-NICOTINOTOLUIDIDE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14F6N2O2
InChI InChI=1S/C21H14F6N2O2/c22-20(23,24)15-4-1-3-13(9-15)11-29-12-14(7-8-18(29)30)19(31)28-17-6-2-5-16(10-17)21(25,26)27/h1-10,12H,11H2,(H,28,31)
InChIKey DYXSQTOZHNRXPT-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 197-198.5C
Molecular Weight 440.34
Solvent DMSO-d6; Reference=TMS; Temperature 297K