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Isophthalic acid, butyl propyl ester

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

Isophthalic acid, butyl propyl ester
SpectraBase Compound ID K2TYn0BTTB
InChI InChI=1S/C15H20O4/c1-3-5-10-19-15(17)13-8-6-7-12(11-13)14(16)18-9-4-2/h6-8,11H,3-5,9-10H2,1-2H3
InChIKey MQZJFGIJWJWSOK-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 HcYSPqtvfD3
Name Isophthalic acid, butyl propyl 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/c1-3-5-10-19-15(17)13-8-6-7-12(11-13)14(16)18-9-4-2/h6-8,11H,3-5,9-10H2,1-2H3
InChIKey MQZJFGIJWJWSOK-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES CCCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928078