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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester

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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester
SpectraBase Compound ID 8jhM2IXdUyT
InChI InChI=1S/C19H20FNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)
InChIKey CFORUZMHLFSHTN-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C19H20FNO3
Exact Mass 329.142722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2154Wk2o7u1
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 329.142721668 u
Formula C19H20FNO3
InChI InChI=1S/C19H20FNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)
InChIKey CFORUZMHLFSHTN-UHFFFAOYSA-N
Molecular Weight 329.371 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)F