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4'-CYANO-alpha,alpha,alpha-TRIFLUORO-o-ACETOTOLUIDIDE

View entire compound with spectra: 2 NMR, and 1 FTIR

4'-CYANO-alpha,alpha,alpha-TRIFLUORO-o-ACETOTOLUIDIDE
SpectraBase Compound ID DA9xfo6JxUV
InChI InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey OBFBGHKUUCGSPC-UHFFFAOYSA-N
Mol Weight 228.17 g/mol
Molecular Formula C10H7F3N2O
Exact Mass 228.051047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3rD5CbJBhHy
Name 4'-CYANO-alpha,alpha,alpha-TRIFLUORO-o-ACETOTOLUIDIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7F3N2O
InChI InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey OBFBGHKUUCGSPC-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 172-174C
Molecular Weight 228.18
Solvent Polysol; Reference=TMS; Temperature 297K