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Terephthalic acid, 2-decyl nonyl ester

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

Terephthalic acid, 2-decyl nonyl ester
SpectraBase Compound ID 8l4D5biWbvA
InChI InChI=1S/C27H44O4/c1-4-6-8-10-12-14-16-22-30-26(28)24-18-20-25(21-19-24)27(29)31-23(3)17-15-13-11-9-7-5-2/h18-21,23H,4-17,22H2,1-3H3
InChIKey GPWXTJHZJKZALX-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Syp0U6yVc5
Name Terephthalic acid, 2-decyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-6-8-10-12-14-16-22-30-26(28)24-18-20-25(21-19-24)27(29)31-23(3)17-15-13-11-9-7-5-2/h18-21,23H,4-17,22H2,1-3H3
InChIKey GPWXTJHZJKZALX-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934684