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Isophthalic acid, butyl isopropyl ester

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Isophthalic acid, butyl isopropyl ester
SpectraBase Compound ID EwXdGyc8ooP
InChI InChI=1S/C15H20O4/c1-4-5-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(2)3/h6-8,10-11H,4-5,9H2,1-3H3
InChIKey HLNHMNDSIGTCDT-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 EoXmN4wEDGB
Name Isophthalic acid, butyl isopropyl 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/c1-4-5-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(2)3/h6-8,10-11H,4-5,9H2,1-3H3
InChIKey HLNHMNDSIGTCDT-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(OC(C1=CC(=CC=C1)C(OCCCC)=O)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952777