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

View entire compound with spectra: 1 NMR

Phthalic acid, monoamide, N-methyl-N-phenyl-, dodecyl ester
SpectraBase Compound ID 3dwhkipImDx
InChI InChI=1S/C27H37NO3/c1-3-4-5-6-7-8-9-10-11-17-22-31-27(30)25-21-16-15-20-24(25)26(29)28(2)23-18-13-12-14-19-23/h12-16,18-21H,3-11,17,22H2,1-2H3
InChIKey AXCDZAWIUQJGTM-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C27H37NO3
Exact Mass 423.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xXS9aTxUmV
Name Phthalic acid, monoamide, N-methyl-N-phenyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.277344052 u
Formula C27H37NO3
InChI InChI=1S/C27H37NO3/c1-3-4-5-6-7-8-9-10-11-17-22-31-27(30)25-21-16-15-20-24(25)26(29)28(2)23-18-13-12-14-19-23/h12-16,18-21H,3-11,17,22H2,1-2H3
InChIKey AXCDZAWIUQJGTM-UHFFFAOYSA-N
Molecular Weight 423.597 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(N(C1=CC=CC=C1)C)=O)=O)CCCCCCCCC