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

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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester
SpectraBase Compound ID Io60A9ESIL7
InChI InChI=1S/C22H26FNO3/c1-2-3-4-5-6-9-15-27-22(26)18-12-10-11-17(16-18)21(25)24-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3,(H,24,25)
InChIKey SMRQBPBPYCEKKW-UHFFFAOYSA-N
Mol Weight 371.45 g/mol
Molecular Formula C22H26FNO3
Exact Mass 371.189672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0h9uQOm5RE
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.189671861 u
Formula C22H26FNO3
InChI InChI=1S/C22H26FNO3/c1-2-3-4-5-6-9-15-27-22(26)18-12-10-11-17(16-18)21(25)24-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3,(H,24,25)
InChIKey SMRQBPBPYCEKKW-UHFFFAOYSA-N
Molecular Weight 371.452 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O)F