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Terephthalic acid, ethyl 2-methylbutyl ester

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Terephthalic acid, ethyl 2-methylbutyl ester
SpectraBase Compound ID FmGyHdLUpQr
InChI InChI=1S/C15H20O4/c1-4-11(3)10-19-15(17)13-8-6-12(7-9-13)14(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKey ZLZBKAXBEIPSRL-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HUhk9HYNP2k
Name Terephthalic acid, ethyl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-4-11(3)10-19-15(17)13-8-6-12(7-9-13)14(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKey ZLZBKAXBEIPSRL-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839551