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

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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isohexyl ester
SpectraBase Compound ID H1epZ8tUZJm
InChI InChI=1S/C20H22FNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)
InChIKey FEGDEEOBEYJBPV-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C20H22FNO3
Exact Mass 343.158372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7n4we9qpa0L
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.158371732 u
Formula C20H22FNO3
InChI InChI=1S/C20H22FNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)
InChIKey FEGDEEOBEYJBPV-UHFFFAOYSA-N
Molecular Weight 343.398 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O)F