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Benzamide, 3-trifluoromethyl-N-(2-pentyl)-N-dodecyl-
SpectraBase Compound ID 3SRmkeyrPeo
InChI InChI=1S/C25H40F3NO/c1-4-6-7-8-9-10-11-12-13-14-19-29(21(3)16-5-2)24(30)22-17-15-18-23(20-22)25(26,27)28/h15,17-18,20-21H,4-14,16,19H2,1-3H3
InChIKey PLNFMOASZBLMOV-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 K7x3GuI1oGA
Name Benzamide, 3-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/c1-4-6-7-8-9-10-11-12-13-14-19-29(21(3)16-5-2)24(30)22-17-15-18-23(20-22)25(26,27)28/h15,17-18,20-21H,4-14,16,19H2,1-3H3
InChIKey PLNFMOASZBLMOV-UHFFFAOYSA-N
Molecular Weight 427.596 g/mol
SMILES C(N(C(CCC)C)C(=O)C1=CC(C(F)(F)F)=CC=C1)CCCCCCCCCCC