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Terephthalic acid, 4-methylpent-2-yl propyl ester

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

Terephthalic acid, 4-methylpent-2-yl propyl ester
SpectraBase Compound ID 6uAsaxniboW
InChI InChI=1S/C17H24O4/c1-5-10-20-16(18)14-6-8-15(9-7-14)17(19)21-13(4)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey HFSODBVBOICFJK-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7GZasikUto5
Name Terephthalic acid, 4-methylpent-2-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-5-10-20-16(18)14-6-8-15(9-7-14)17(19)21-13(4)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey HFSODBVBOICFJK-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(OCCC)=O)C(OC(C)CC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933674