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Isonipecotic acid, N-pentafluorobenzoyl-, hexyl ester

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Isonipecotic acid, N-pentafluorobenzoyl-, hexyl ester
SpectraBase Compound ID Cvl5RpRgCId
InChI InChI=1S/C19H22F5NO3/c1-2-3-4-5-10-28-19(27)11-6-8-25(9-7-11)18(26)12-13(20)15(22)17(24)16(23)14(12)21/h11H,2-10H2,1H3
InChIKey OHFMITAJUSHHNL-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C19H22F5NO3
Exact Mass 407.151984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LesbcMSjjfV
Name Isonipecotic acid, N-pentafluorobenzoyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.151984384 u
Formula C19H22F5NO3
InChI InChI=1S/C19H22F5NO3/c1-2-3-4-5-10-28-19(27)11-6-8-25(9-7-11)18(26)12-13(20)15(22)17(24)16(23)14(12)21/h11H,2-10H2,1H3
InChIKey OHFMITAJUSHHNL-UHFFFAOYSA-N
Molecular Weight 407.381 g/mol
SMILES CCCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O