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Terephthalic acid, monoamide, N-methyl-N-phenyl-, butyl ester

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

Terephthalic acid, monoamide, N-methyl-N-phenyl-, butyl ester
SpectraBase Compound ID gsumBSK6i
InChI InChI=1S/C19H21NO3/c1-3-4-14-23-19(22)16-12-10-15(11-13-16)18(21)20(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKey QIDWXIJMYMNGFN-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 3vnlT06IekS
Name Terephthalic acid, monoamide, N-methyl-N-phenyl-, butyl 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/c1-3-4-14-23-19(22)16-12-10-15(11-13-16)18(21)20(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKey QIDWXIJMYMNGFN-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C1(=CC=C(C=C1)C(=O)OCCCC)C(N(C)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839471