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Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-butyl)-N-hexadecyl-
SpectraBase Compound ID Kdwbq9N7PIC
InChI InChI=1S/C28H45F4NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33(23(3)5-2)27(34)24-20-19-21-25(26(24)29)28(30,31)32/h19-21,23H,4-18,22H2,1-3H3
InChIKey GFHVZEIINIOUSY-UHFFFAOYSA-N
Mol Weight 487.7 g/mol
Molecular Formula C28H45F4NO
Exact Mass 487.343728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0jDQOYHVfj
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-butyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 487.343727724 u
Formula C28H45F4NO
InChI InChI=1S/C28H45F4NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33(23(3)5-2)27(34)24-20-19-21-25(26(24)29)28(30,31)32/h19-21,23H,4-18,22H2,1-3H3
InChIKey GFHVZEIINIOUSY-UHFFFAOYSA-N
Molecular Weight 487.668 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)C(CC)C)(=O)C=1C(F)=C(C=CC1)C(F)(F)F