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Benzamide, 4-trifluoromethyl-N-(2-pentyl)-N-dodecyl-
SpectraBase Compound ID 3D6Cl0cZyom
InChI InChI=1S/C25H40F3NO/c1-4-6-7-8-9-10-11-12-13-14-20-29(21(3)15-5-2)24(30)22-16-18-23(19-17-22)25(26,27)28/h16-19,21H,4-15,20H2,1-3H3
InChIKey IUXCANZPULDQGL-UHFFFAOYSA-N
Mol Weight 427.6 g/mol
Molecular Formula C25H40F3NO
Exact Mass 427.306199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqpCqzQaKOj
Name Benzamide, 4-trifluoromethyl-N-(2-pentyl)-N-dodecyl-
Comments Computed using HOSE algorithm
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Exact Mass 427.306199400 u
Formula C25H40F3NO
InChI InChI=1S/C25H40F3NO/c1-4-6-7-8-9-10-11-12-13-14-20-29(21(3)15-5-2)24(30)22-16-18-23(19-17-22)25(26,27)28/h16-19,21H,4-15,20H2,1-3H3
InChIKey IUXCANZPULDQGL-UHFFFAOYSA-N
Molecular Weight 427.596 g/mol
SMILES C(C1=CC=C(C=C1)C(F)(F)F)(=O)N(CCCCCCCCCCCC)C(CCC)C