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N-[4-(4-Chlorophenoxy)phenyl]butanamide, tfa derivative

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N-[4-(4-Chlorophenoxy)phenyl]butanamide, tfa derivative
SpectraBase Compound ID 2ZoC1nYY3fV
InChI InChI=1S/C18H15ClF3NO3/c1-2-3-16(24)23(17(25)18(20,21)22)13-6-10-15(11-7-13)26-14-8-4-12(19)5-9-14/h4-11H,2-3H2,1H3
InChIKey HSPUHQCWALUWGM-UHFFFAOYSA-N
Mol Weight 385.77 g/mol
Molecular Formula C18H15ClF3NO3
Exact Mass 385.069256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeBVonFv2Mt
Name N-[4-(4-Chlorophenoxy)phenyl]butanamide, tfa derivative
Comments Computed using HOSE algorithm
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Exact Mass 385.069255533 u
Formula C18H15ClF3NO3
InChI InChI=1S/C18H15ClF3NO3/c1-2-3-16(24)23(17(25)18(20,21)22)13-6-10-15(11-7-13)26-14-8-4-12(19)5-9-14/h4-11H,2-3H2,1H3
InChIKey HSPUHQCWALUWGM-UHFFFAOYSA-N
Molecular Weight 385.770 g/mol
SMILES C1(Cl)=CC=C(C=C1)OC1=CC=C(C=C1)N(C(=O)CCC)C(C(F)(F)F)=O