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Isonipecotic acid, N-(3-fluorobenzoyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluorobenzoyl)-, heptyl ester
SpectraBase Compound ID Abx3ZEU4TvA
InChI InChI=1S/C20H28FNO3/c1-2-3-4-5-6-14-25-20(24)16-10-12-22(13-11-16)19(23)17-8-7-9-18(21)15-17/h7-9,15-16H,2-6,10-14H2,1H3
InChIKey YFTAZAIPCHGPCQ-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C20H28FNO3
Exact Mass 349.205322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ba8LAhPGSJ
Name Isonipecotic acid, N-(3-fluorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.205321926 u
Formula C20H28FNO3
InChI InChI=1S/C20H28FNO3/c1-2-3-4-5-6-14-25-20(24)16-10-12-22(13-11-16)19(23)17-8-7-9-18(21)15-17/h7-9,15-16H,2-6,10-14H2,1H3
InChIKey YFTAZAIPCHGPCQ-UHFFFAOYSA-N
Molecular Weight 349.446 g/mol
SMILES CCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)F)CC1)=O