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Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID DIlm4mkK6WZ
InChI InChI=1S/C19H24F3NO3/c1-2-3-6-13-26-18(25)14-9-11-23(12-10-14)17(24)15-7-4-5-8-16(15)19(20,21)22/h4-5,7-8,14H,2-3,6,9-13H2,1H3
InChIKey SJBXJZGVBHHLSR-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C19H24F3NO3
Exact Mass 371.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4CiBRUxNf0
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.170828123 u
Formula C19H24F3NO3
InChI InChI=1S/C19H24F3NO3/c1-2-3-6-13-26-18(25)14-9-11-23(12-10-14)17(24)15-7-4-5-8-16(15)19(20,21)22/h4-5,7-8,14H,2-3,6,9-13H2,1H3
InChIKey SJBXJZGVBHHLSR-UHFFFAOYSA-N
Molecular Weight 371.400 g/mol
SMILES CCCCCOC(=O)C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1