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Isophthalic acid, allyl isobutyl ester

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

Isophthalic acid, allyl isobutyl ester
SpectraBase Compound ID 1lWIZv0wflg
InChI InChI=1S/C15H18O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h4-7,9,11H,1,8,10H2,2-3H3
InChIKey MWTYKDYHSPBAIQ-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeSI7Zlpvv3
Name Isophthalic acid, allyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h4-7,9,11H,1,8,10H2,2-3H3
InChIKey MWTYKDYHSPBAIQ-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES C1=CC=C(C=C1C(OCC=C)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848247