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

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

Terephthalic acid, monoamide, N-(2-ethylphenyl)-, propyl ester
SpectraBase Compound ID 7Okur7nOTYl
InChI InChI=1S/C19H21NO3/c1-3-13-23-19(22)16-11-9-15(10-12-16)18(21)20-17-8-6-5-7-14(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKey NOSZDKGYWUTNAM-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82asXnVOslL
Name Terephthalic acid, monoamide, N-(2-ethylphenyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-13-23-19(22)16-11-9-15(10-12-16)18(21)20-17-8-6-5-7-14(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKey NOSZDKGYWUTNAM-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C1=C(C=CC(=C1)C(=O)NC1=C(CC)C=CC=C1)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904451