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

View entire compound with spectra: 1 NMR

Terephthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester
SpectraBase Compound ID IJirMBEEOia
InChI InChI=1S/C22H26FNO3/c1-2-3-4-5-6-9-16-27-22(26)18-14-12-17(13-15-18)21(25)24-20-11-8-7-10-19(20)23/h7-8,10-15H,2-6,9,16H2,1H3,(H,24,25)
InChIKey YDYNBRYTPSLUII-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 LgySecebHbf
Name Terephthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.189671861 u
Formula C22H26FNO3
InChI InChI=1S/C22H26FNO3/c1-2-3-4-5-6-9-16-27-22(26)18-14-12-17(13-15-18)21(25)24-20-11-8-7-10-19(20)23/h7-8,10-15H,2-6,9,16H2,1H3,(H,24,25)
InChIKey YDYNBRYTPSLUII-UHFFFAOYSA-N
Molecular Weight 371.452 g/mol
SMILES C(COC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC=C1F)CCCCCC