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Terephthalic acid, 2-chloropropyl isobutyl ester

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

Terephthalic acid, 2-chloropropyl isobutyl ester
SpectraBase Compound ID LjfyGqlPFki
InChI InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-4-6-13(7-5-12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3
InChIKey OXIFJUVHBKBBNV-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6JXdIuTDgqa
Name Terephthalic acid, 2-chloropropyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.097186788 u
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-4-6-13(7-5-12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3
InChIKey OXIFJUVHBKBBNV-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945026