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Terephthalic acid, 4,4-dimethylpent-2-yl nonyl ester

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

Terephthalic acid, 4,4-dimethylpent-2-yl nonyl ester
SpectraBase Compound ID EmJgsRk73Ly
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-12-17-27-22(25)20-13-15-21(16-14-20)23(26)28-19(2)18-24(3,4)5/h13-16,19H,6-12,17-18H2,1-5H3
InChIKey TZHMAYRMFCJTMT-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CW7iWePDjWR
Name Terephthalic acid, 4,4-dimethylpent-2-yl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-12-17-27-22(25)20-13-15-21(16-14-20)23(26)28-19(2)18-24(3,4)5/h13-16,19H,6-12,17-18H2,1-5H3
InChIKey TZHMAYRMFCJTMT-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(=O)OC(C)CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809829