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Benzamide, N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethoxy-
SpectraBase Compound ID IdSc93rHolt
InChI InChI=1S/C28H28F3NO4/c1-34-23-14-20(15-24(17-23)35-2)27(33)32-25-16-21(28(29,30)31)10-13-26(25)36-22-11-8-19(9-12-22)18-6-4-3-5-7-18/h8-18H,3-7H2,1-2H3,(H,32,33)
InChIKey HHHHRHFMOGAUDC-UHFFFAOYSA-N
Mol Weight 499.53 g/mol
Molecular Formula C28H28F3NO4
Exact Mass 499.197043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KI6beZdHNFt
Name Benzamide, N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethoxy-
Comments Computed using HOSE algorithm
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Exact Mass 499.197042871 u
Formula C28H28F3NO4
InChI InChI=1S/C28H28F3NO4/c1-34-23-14-20(15-24(17-23)35-2)27(33)32-25-16-21(28(29,30)31)10-13-26(25)36-22-11-8-19(9-12-22)18-6-4-3-5-7-18/h8-18H,3-7H2,1-2H3,(H,32,33)
InChIKey HHHHRHFMOGAUDC-UHFFFAOYSA-N
Molecular Weight 499.530 g/mol
SMILES C=1(C=C(C(OC2=CC=C(C=C2)C2CCCCC2)=CC1)NC(C1=CC(OC)=CC(=C1)OC)=O)C(F)(F)F