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

View entire compound with spectra: 1 NMR

Phthalic acid, monoamide, N-methyl-N-phenyl-, isohexyl ester
SpectraBase Compound ID AdKbZv1KlXB
InChI InChI=1S/C21H25NO3/c1-16(2)10-9-15-25-21(24)19-14-8-7-13-18(19)20(23)22(3)17-11-5-4-6-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKey YYGOLQYJZDJUKD-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 HvZX4gghIs8
Name Phthalic acid, monoamide, N-methyl-N-phenyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-16(2)10-9-15-25-21(24)19-14-8-7-13-18(19)20(23)22(3)17-11-5-4-6-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKey YYGOLQYJZDJUKD-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(N(C1=CC=CC=C1)C)=O)=O)C(C)C