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Benzamide, 3-fluoro-5-trifluoromethyl-N-butyl-N-nonyl-
SpectraBase Compound ID LgNhKiCnhZH
InChI InChI=1S/C21H31F4NO/c1-3-5-7-8-9-10-11-13-26(12-6-4-2)20(27)17-14-18(21(23,24)25)16-19(22)15-17/h14-16H,3-13H2,1-2H3
InChIKey XYJAUMCLHYLHHL-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 3XG5qby6Z3W
Name Benzamide, 3-fluoro-5-trifluoromethyl-N-butyl-N-nonyl-
Comments Computed using HOSE algorithm
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Exact Mass 389.234177273 u
Formula C21H31F4NO
InChI InChI=1S/C21H31F4NO/c1-3-5-7-8-9-10-11-13-26(12-6-4-2)20(27)17-14-18(21(23,24)25)16-19(22)15-17/h14-16H,3-13H2,1-2H3
InChIKey XYJAUMCLHYLHHL-UHFFFAOYSA-N
Molecular Weight 389.479 g/mol
SMILES C1=C(C=C(C=C1F)C(N(CCCC)CCCCCCCCC)=O)C(F)(F)F