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Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl-

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

Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl-
SpectraBase Compound ID BhOGD3O24Cc
InChI InChI=1S/C21H31F4NO/c1-4-7-9-14-26(15-16(6-3)11-8-5-2)20(27)17-12-10-13-18(19(17)22)21(23,24)25/h10,12-13,16H,4-9,11,14-15H2,1-3H3
InChIKey AUHBPCKHTJUAFJ-UHFFFAOYSA-N
Mol Weight 389.48 g/mol
Molecular Formula C21H31F4NO
Exact Mass 389.234177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AradQN13uwF
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl-
Comments Computed using HOSE algorithm
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Exact Mass 389.234177273 u
Formula C21H31F4NO
InChI InChI=1S/C21H31F4NO/c1-4-7-9-14-26(15-16(6-3)11-8-5-2)20(27)17-12-10-13-18(19(17)22)21(23,24)25/h10,12-13,16H,4-9,11,14-15H2,1-3H3
InChIKey AUHBPCKHTJUAFJ-UHFFFAOYSA-N
Molecular Weight 389.479 g/mol
SMILES C1=CC=C(C(=C1C(=O)N(CCCCC)CC(CCCC)CC)F)C(F)(F)F