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Isonipecotic acid, N-pentafluorobenzoyl-, pentyl ester

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Isonipecotic acid, N-pentafluorobenzoyl-, pentyl ester
SpectraBase Compound ID 945acUywk4u
InChI InChI=1S/C18H20F5NO3/c1-2-3-4-9-27-18(26)10-5-7-24(8-6-10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h10H,2-9H2,1H3
InChIKey FOJCQQHBIIRSIG-UHFFFAOYSA-N
Mol Weight 393.35 g/mol
Molecular Formula C18H20F5NO3
Exact Mass 393.136334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtHerMWZuSd
Name Isonipecotic acid, N-pentafluorobenzoyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.136334320 u
Formula C18H20F5NO3
InChI InChI=1S/C18H20F5NO3/c1-2-3-4-9-27-18(26)10-5-7-24(8-6-10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h10H,2-9H2,1H3
InChIKey FOJCQQHBIIRSIG-UHFFFAOYSA-N
Molecular Weight 393.354 g/mol
SMILES CCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O