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4,7-BIS-(TRIFLUOROMETHYL)-1,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
SpectraBase Compound ID 79bGtMpmQxb
InChI InChI=1S/C7H4F6N2O/c8-6(9,10)3-1-2-4(7(11,12)13)15-5(16)14-3/h1-2H,(H2,14,15,16)
InChIKey GXLGTHBKQPVQLF-UHFFFAOYSA-N
Mol Weight 246.11 g/mol
Molecular Formula C7H4F6N2O
Exact Mass 246.022782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1735tzoXux5
Name 4,7-BIS-(TRIFLUOROMETHYL)-1,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
Compound Number 8O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H4F6N2O
InChI InChI=1S/C7H4F6N2O/c8-6(9,10)3-1-2-4(7(11,12)13)15-5(16)14-3/h1-2H,(H2,14,15,16)
InChIKey GXLGTHBKQPVQLF-UHFFFAOYSA-N
Literature Reference Author A.REISINGER,R.KOCH,C.WENTRUP
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2247(1998)
Literature Reference DOI 10.1039/a804831b
Molecular Weight 246.112 g/mol
Solvent DMSO-D6
Source File Reference UWGE3731