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Terephthalic acid, 2-octyl propyl ester
SpectraBase Compound ID 6jnasuE1oKE
InChI InChI=1S/C19H28O4/c1-4-6-7-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-5-2/h10-13,15H,4-9,14H2,1-3H3
InChIKey ZYEOMCFZGJOIOD-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C71Ls9CXD7e
Name Terephthalic acid, 2-octyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-6-7-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-5-2/h10-13,15H,4-9,14H2,1-3H3
InChIKey ZYEOMCFZGJOIOD-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC(C)CCCCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933171