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Terephthalic acid, butyl 3-methylpentyl ester
SpectraBase Compound ID GAaKgc5uGXb
InChI InChI=1S/C18H26O4/c1-4-6-12-21-17(19)15-7-9-16(10-8-15)18(20)22-13-11-14(3)5-2/h7-10,14H,4-6,11-13H2,1-3H3
InChIKey LUBSJCNTDHSIBW-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kl4TaID9zVK
Name Terephthalic acid, butyl 3-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-4-6-12-21-17(19)15-7-9-16(10-8-15)18(20)22-13-11-14(3)5-2/h7-10,14H,4-6,11-13H2,1-3H3
InChIKey LUBSJCNTDHSIBW-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959359