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3-(Trifluoromethyl) benzamide, N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID 8H8AlnlfcnB
InChI InChI=1S/C24H30F3NO/c1-2-3-4-5-6-10-17-28(18-16-20-12-8-7-9-13-20)23(29)21-14-11-15-22(19-21)24(25,26)27/h7-9,11-15,19H,2-6,10,16-18H2,1H3
InChIKey UZACIPNJSCUXNQ-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C24H30F3NO
Exact Mass 405.227949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WsLorBIRkM
Name 3-(Trifluoromethyl) benzamide, N-(2-phenylethyl)-N-octyl-
Comments Computed using HOSE algorithm
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Exact Mass 405.227949078 u
Formula C24H30F3NO
InChI InChI=1S/C24H30F3NO/c1-2-3-4-5-6-10-17-28(18-16-20-12-8-7-9-13-20)23(29)21-14-11-15-22(19-21)24(25,26)27/h7-9,11-15,19H,2-6,10,16-18H2,1H3
InChIKey UZACIPNJSCUXNQ-UHFFFAOYSA-N
Molecular Weight 405.505 g/mol
SMILES C1(=CC=CC=C1)CCN(C(=O)C1=CC(C(F)(F)F)=CC=C1)CCCCCCCC