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

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester
SpectraBase Compound ID 3epSpBmVGYF
InChI InChI=1S/C21H25NO3/c1-15(2)7-6-12-25-21(24)18-10-5-9-17(14-18)20(23)22-19-11-4-8-16(3)13-19/h4-5,8-11,13-15H,6-7,12H2,1-3H3,(H,22,23)
InChIKey XXIAEXWYUDCZAS-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fXjEPZ8iXh
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-15(2)7-6-12-25-21(24)18-10-5-9-17(14-18)20(23)22-19-11-4-8-16(3)13-19/h4-5,8-11,13-15H,6-7,12H2,1-3H3,(H,22,23)
InChIKey XXIAEXWYUDCZAS-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES C1=C(C=C(C=C1)C)NC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O