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Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, propyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID L3gdfp1N2wR
InChI InChI=1S/C17H19F4NO3/c1-2-7-25-16(24)11-3-5-22(6-4-11)15(23)12-8-13(17(19,20)21)10-14(18)9-12/h8-11H,2-7H2,1H3
InChIKey SOEKVIGICNPDRN-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C17H19F4NO3
Exact Mass 361.130106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw4QlqJxOlj
Name Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.130106125 u
Formula C17H19F4NO3
InChI InChI=1S/C17H19F4NO3/c1-2-7-25-16(24)11-3-5-22(6-4-11)15(23)12-8-13(17(19,20)21)10-14(18)9-12/h8-11H,2-7H2,1H3
InChIKey SOEKVIGICNPDRN-UHFFFAOYSA-N
Molecular Weight 361.337 g/mol
SMILES CCCOC(C1CCN(C(=O)C2=CC(=CC(=C2)C(F)(F)F)F)CC1)=O