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

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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, propyl ester
SpectraBase Compound ID DatEDgJMq2f
InChI InChI=1S/C17H16FNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKey UBGQAJWLFAPTCI-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C17H16FNO3
Exact Mass 301.111422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSG62Jw1adk
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 301.111421539 u
Formula C17H16FNO3
InChI InChI=1S/C17H16FNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKey UBGQAJWLFAPTCI-UHFFFAOYSA-N
Molecular Weight 301.317 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCC)=O)=O)F