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Terephthalic acid, monoamide, N-(2-methoxyphenyl)-, pentyl ester

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Terephthalic acid, monoamide, N-(2-methoxyphenyl)-, pentyl ester
SpectraBase Compound ID L4gKaoXuONI
InChI InChI=1S/C20H23NO4/c1-3-4-7-14-25-20(23)16-12-10-15(11-13-16)19(22)21-17-8-5-6-9-18(17)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKey VYPKJRDLKPYFBQ-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kk2bAiyWzBo
Name Terephthalic acid, monoamide, N-(2-methoxyphenyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-3-4-7-14-25-20(23)16-12-10-15(11-13-16)19(22)21-17-8-5-6-9-18(17)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKey VYPKJRDLKPYFBQ-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES C(COC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC=C1OC)CCC