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Phthalic acid, hexyl isoporpyl ester

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

Phthalic acid, hexyl isoporpyl ester
SpectraBase Compound ID Lbvlj1cP2E9
InChI InChI=1S/C17H24O4/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey ZFEUGQQOVUSCQB-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 FCjCGCJeJfU
Name Phthalic acid, hexyl isoporpyl 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/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey ZFEUGQQOVUSCQB-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1C(OC(C)C)=O)C(=O)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844087