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4-(4,4,4-Trifluorobutanoyl)-benzonitrile
SpectraBase Compound ID 7wgdhaQm27d
InChI InChI=1S/C11H8F3NO/c12-11(13,14)6-5-10(16)9-3-1-8(7-15)2-4-9/h1-4H,5-6H2
InChIKey QYNOGBHIYCMXMN-UHFFFAOYSA-N
Mol Weight 227.19 g/mol
Molecular Formula C11H8F3NO
Exact Mass 227.055798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9vNh6WTbTb
Name 4-(4,4,4-Trifluorobutanoyl)-benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.055798370 u
Formula C11H8F3NO
InChI InChI=1S/C11H8F3NO/c12-11(13,14)6-5-10(16)9-3-1-8(7-15)2-4-9/h1-4H,5-6H2
InChIKey QYNOGBHIYCMXMN-UHFFFAOYSA-N
Molecular Weight 227.186 g/mol
SMILES C(#N)C1=CC=C(C(=O)CCC(F)(F)F)C=C1