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Phthalic acid, hexyl propyl ester

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

Phthalic acid, hexyl propyl ester
SpectraBase Compound ID 9m9AdWv55Z9
InChI InChI=1S/C17H24O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3
InChIKey ICADHACGSCAYCF-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 82ggQASSOXi
Name Phthalic acid, hexyl 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/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3
InChIKey ICADHACGSCAYCF-UHFFFAOYSA-N
SMILES C1=C(C(C(OCCCCCC)=O)=CC=C1)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923425