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Phthalic acid, monoamide, N-methyl-N-phenyl-, heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, monoamide, N-methyl-N-phenyl-, heptyl ester
SpectraBase Compound ID LEQcmlj82bZ
InChI InChI=1S/C22H27NO3/c1-3-4-5-6-12-17-26-22(25)20-16-11-10-15-19(20)21(24)23(2)18-13-8-7-9-14-18/h7-11,13-16H,3-6,12,17H2,1-2H3
InChIKey XIOLHHOMJWLPFE-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 3lmDkuCqkGu
Name Phthalic acid, monoamide, N-methyl-N-phenyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-3-4-5-6-12-17-26-22(25)20-16-11-10-15-19(20)21(24)23(2)18-13-8-7-9-14-18/h7-11,13-16H,3-6,12,17H2,1-2H3
InChIKey XIOLHHOMJWLPFE-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(N(C1=CC=CC=C1)C)=O)=O)CCCC