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Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester
SpectraBase Compound ID ID3jXLlTjrV
InChI InChI=1S/C22H27NO3/c1-3-4-5-6-7-14-26-22(25)19-12-9-11-18(16-19)21(24)23-20-13-8-10-17(2)15-20/h8-13,15-16H,3-7,14H2,1-2H3,(H,23,24)
InChIKey DULWEOAFDUOKGN-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCq8jrSKi5F
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-3-4-5-6-7-14-26-22(25)19-12-9-11-18(16-19)21(24)23-20-13-8-10-17(2)15-20/h8-13,15-16H,3-7,14H2,1-2H3,(H,23,24)
InChIKey DULWEOAFDUOKGN-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES C1=CC(=CC(=C1)NC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O)C