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Terephthalic acid, pentyl phenyl ester

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

Terephthalic acid, pentyl phenyl ester
SpectraBase Compound ID 9jkO3NorBZO
InChI InChI=1S/C19H20O4/c1-2-3-7-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14H2,1H3
InChIKey QRQLHLIPJJLYAP-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C12MpFedJQr
Name Terephthalic acid, pentyl phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-2-3-7-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14H2,1H3
InChIKey QRQLHLIPJJLYAP-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841721