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Isonipecotic acid, N-pentafluorobenzoyl-, isobutyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, isobutyl ester
SpectraBase Compound ID 81AumLcF8K0
InChI InChI=1S/C17H18F5NO3/c1-8(2)7-26-17(25)9-3-5-23(6-4-9)16(24)10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,3-7H2,1-2H3
InChIKey CNTXKWUXSFBATB-UHFFFAOYSA-N
Mol Weight 379.33 g/mol
Molecular Formula C17H18F5NO3
Exact Mass 379.120684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKPKB0TNCWT
Name Isonipecotic acid, N-pentafluorobenzoyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.120684256 u
Formula C17H18F5NO3
InChI InChI=1S/C17H18F5NO3/c1-8(2)7-26-17(25)9-3-5-23(6-4-9)16(24)10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,3-7H2,1-2H3
InChIKey CNTXKWUXSFBATB-UHFFFAOYSA-N
Molecular Weight 379.327 g/mol
SMILES CC(C)COC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O