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Isophthalic acid, allyl butyl ester

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

Isophthalic acid, allyl butyl ester
SpectraBase Compound ID 923mAU2pDeT
InChI InChI=1S/C15H18O4/c1-3-5-10-19-15(17)13-8-6-7-12(11-13)14(16)18-9-4-2/h4,6-8,11H,2-3,5,9-10H2,1H3
InChIKey UWBIOPOIRYHXFK-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 5B9ntbdybdd
Name Isophthalic acid, allyl butyl 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/c1-3-5-10-19-15(17)13-8-6-7-12(11-13)14(16)18-9-4-2/h4,6-8,11H,2-3,5,9-10H2,1H3
InChIKey UWBIOPOIRYHXFK-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES C1=CC=C(C=C1C(OCC=C)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918965