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Benzamide, 2-fluoro-3-trifluoromethyl-N-benzyl-N-hexyl-

View entire compound with spectra: 1 NMR

Benzamide, 2-fluoro-3-trifluoromethyl-N-benzyl-N-hexyl-
SpectraBase Compound ID 3TJO083pK2h
InChI InChI=1S/C21H23F4NO/c1-2-3-4-8-14-26(15-16-10-6-5-7-11-16)20(27)17-12-9-13-18(19(17)22)21(23,24)25/h5-7,9-13H,2-4,8,14-15H2,1H3
InChIKey PISWARFZSQGEIA-UHFFFAOYSA-N
Mol Weight 381.41 g/mol
Molecular Formula C21H23F4NO
Exact Mass 381.171577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iWhfLGpG5
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-benzyl-N-hexyl-
Comments Computed using HOSE algorithm
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Exact Mass 381.171577016 u
Formula C21H23F4NO
InChI InChI=1S/C21H23F4NO/c1-2-3-4-8-14-26(15-16-10-6-5-7-11-16)20(27)17-12-9-13-18(19(17)22)21(23,24)25/h5-7,9-13H,2-4,8,14-15H2,1H3
InChIKey PISWARFZSQGEIA-UHFFFAOYSA-N
Molecular Weight 381.415 g/mol
SMILES C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1)C(F)(F)F