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

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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester
SpectraBase Compound ID JQ1vhiAf1Hm
InChI InChI=1S/C21H24FNO3/c1-2-3-4-5-8-14-26-21(25)17-11-9-10-16(15-17)20(24)23-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H,23,24)
InChIKey HPFVLEHPYKDUIW-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C21H24FNO3
Exact Mass 357.174022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4r9FVhExyT
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 357.174021797 u
Formula C21H24FNO3
InChI InChI=1S/C21H24FNO3/c1-2-3-4-5-8-14-26-21(25)17-11-9-10-16(15-17)20(24)23-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H,23,24)
InChIKey HPFVLEHPYKDUIW-UHFFFAOYSA-N
Molecular Weight 357.425 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O)F