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Terephthalic acid, monoamide, N-(2-ethylphenyl)-, butyl ester

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Terephthalic acid, monoamide, N-(2-ethylphenyl)-, butyl ester
SpectraBase Compound ID IJ7LyVedilM
InChI InChI=1S/C20H23NO3/c1-3-5-14-24-20(23)17-12-10-16(11-13-17)19(22)21-18-9-7-6-8-15(18)4-2/h6-13H,3-5,14H2,1-2H3,(H,21,22)
InChIKey GQQISAZJDRNKFE-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 AptAxGAfu60
Name Terephthalic acid, monoamide, N-(2-ethylphenyl)-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-3-5-14-24-20(23)17-12-10-16(11-13-17)19(22)21-18-9-7-6-8-15(18)4-2/h6-13H,3-5,14H2,1-2H3,(H,21,22)
InChIKey GQQISAZJDRNKFE-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C1=C(C=CC(=C1)C(=O)NC=1C=CC=CC1CC)C(OCCCC)=O