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Benzamide, N-heptyl-N-octyl-2-trifluoromethyl-

View entire compound with spectra: 1 NMR

Benzamide, N-heptyl-N-octyl-2-trifluoromethyl-
SpectraBase Compound ID 9iPeODRWqJ9
InChI InChI=1S/C23H36F3NO/c1-3-5-7-9-11-15-19-27(18-14-10-8-6-4-2)22(28)20-16-12-13-17-21(20)23(24,25)26/h12-13,16-17H,3-11,14-15,18-19H2,1-2H3
InChIKey JGCKNLMKRNCRLN-UHFFFAOYSA-N
Mol Weight 399.5 g/mol
Molecular Formula C23H36F3NO
Exact Mass 399.274899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pAv5cGsJ5N
Name Benzamide, N-heptyl-N-octyl-2-trifluoromethyl-
Comments Computed using HOSE algorithm
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Exact Mass 399.274899271 u
Formula C23H36F3NO
InChI InChI=1S/C23H36F3NO/c1-3-5-7-9-11-15-19-27(18-14-10-8-6-4-2)22(28)20-16-12-13-17-21(20)23(24,25)26/h12-13,16-17H,3-11,14-15,18-19H2,1-2H3
InChIKey JGCKNLMKRNCRLN-UHFFFAOYSA-N
Molecular Weight 399.542 g/mol
SMILES C1=CC=C(C(=C1)C(N(CCCCCCC)CCCCCCCC)=O)C(F)(F)F