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Terephthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester
SpectraBase Compound ID 3B86YSA78yR
InChI InChI=1S/C20H23NO3/c1-3-4-5-13-24-20(23)17-11-9-16(10-12-17)19(22)21-18-8-6-7-15(2)14-18/h6-12,14H,3-5,13H2,1-2H3,(H,21,22)
InChIKey OTMUZRUTLXVPBB-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1m1RAfoGni2
Name Terephthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-3-4-5-13-24-20(23)17-11-9-16(10-12-17)19(22)21-18-8-6-7-15(2)14-18/h6-12,14H,3-5,13H2,1-2H3,(H,21,22)
InChIKey OTMUZRUTLXVPBB-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC(C)=C1)CCCC