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

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Terephthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester
SpectraBase Compound ID 6QYm3rRMy2B
InChI InChI=1S/C21H25NO3/c1-3-4-5-6-14-25-21(24)18-12-10-17(11-13-18)20(23)22-19-9-7-8-16(2)15-19/h7-13,15H,3-6,14H2,1-2H3,(H,22,23)
InChIKey PHQGOJAOBRZMQW-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 B47JFvx92jA
Name Terephthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-3-4-5-6-14-25-21(24)18-12-10-17(11-13-18)20(23)22-19-9-7-8-16(2)15-19/h7-13,15H,3-6,14H2,1-2H3,(H,22,23)
InChIKey PHQGOJAOBRZMQW-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC(=C1)C)CCCCC