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1,2-Benzenedicarboxylic acid, 4-amino-, dibutyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,2-Benzenedicarboxylic acid, 4-amino-, dibutyl ester
SpectraBase Compound ID 3OCl4Z0JrwX
InChI InChI=1S/C16H23NO4/c1-3-5-9-20-15(18)13-8-7-12(17)11-14(13)16(19)21-10-6-4-2/h7-8,11H,3-6,9-10,17H2,1-2H3
InChIKey DQAHYYUCJWXJIK-UHFFFAOYSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2wh670cD3zk
Name 1,2-Benzenedicarboxylic acid, 4-amino-, dibutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.162708221 u
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-3-5-9-20-15(18)13-8-7-12(17)11-14(13)16(19)21-10-6-4-2/h7-8,11H,3-6,9-10,17H2,1-2H3
InChIKey DQAHYYUCJWXJIK-UHFFFAOYSA-N
SMILES CCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCC)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962852