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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID 2uYIuPEA2L5
InChI InChI=1S/C17H20F3NO3/c1-2-10-24-16(23)12-6-8-21(9-7-12)15(22)13-4-3-5-14(11-13)17(18,19)20/h3-5,11-12H,2,6-10H2,1H3
InChIKey IFUXOAYGFZDBPA-UHFFFAOYSA-N
Mol Weight 343.35 g/mol
Molecular Formula C17H20F3NO3
Exact Mass 343.139528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ql0yLyCyHT
Name Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.139527994 u
Formula C17H20F3NO3
InChI InChI=1S/C17H20F3NO3/c1-2-10-24-16(23)12-6-8-21(9-7-12)15(22)13-4-3-5-14(11-13)17(18,19)20/h3-5,11-12H,2,6-10H2,1H3
InChIKey IFUXOAYGFZDBPA-UHFFFAOYSA-N
Molecular Weight 343.346 g/mol
SMILES CCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O