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N-(2-Benzoyl-4-nitrophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SpectraBase Compound ID YvtCJhhD6O
InChI InChI=1S/C17H9F7N2O4/c18-15(19,16(20,21)17(22,23)24)14(28)25-12-7-6-10(26(29)30)8-11(12)13(27)9-4-2-1-3-5-9/h1-8H,(H,25,28)
InChIKey NFCVVOUAKGCKSE-UHFFFAOYSA-N
Mol Weight 438.26 g/mol
Molecular Formula C17H9F7N2O4
Exact Mass 438.045054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsN8jmZ2vWI
Name N-(2-Benzoyl-4-nitrophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Comments Computed using HOSE algorithm
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Exact Mass 438.045053915 u
Formula C17H9F7N2O4
InChI InChI=1S/C17H9F7N2O4/c18-15(19,16(20,21)17(22,23)24)14(28)25-12-7-6-10(26(29)30)8-11(12)13(27)9-4-2-1-3-5-9/h1-8H,(H,25,28)
InChIKey NFCVVOUAKGCKSE-UHFFFAOYSA-N
Molecular Weight 438.258 g/mol
SMILES C1(=C(C=C(C=C1)N(=O)=O)C(C1=CC=CC=C1)=O)NC(=O)C(C(F)(C(F)(F)F)F)(F)F