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

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Terephthalic acid, monoamide, N-(3-methylphenyl)-, butyl ester
SpectraBase Compound ID LrfDcb0TbL4
InChI InChI=1S/C19H21NO3/c1-3-4-12-23-19(22)16-10-8-15(9-11-16)18(21)20-17-7-5-6-14(2)13-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)
InChIKey FNFFDKVBBSIWDK-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTjenvCccBs
Name Terephthalic acid, monoamide, N-(3-methylphenyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-4-12-23-19(22)16-10-8-15(9-11-16)18(21)20-17-7-5-6-14(2)13-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)
InChIKey FNFFDKVBBSIWDK-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)NC=1C=CC=C(C)C1)CCC