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Phthalic acid, 2-(2-methoxyethyl)hexyl nonyl ester

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

Phthalic acid, 2-(2-methoxyethyl)hexyl nonyl ester
SpectraBase Compound ID 2sZldk5CNye
InChI InChI=1S/C26H42O5/c1-4-6-8-9-10-11-14-19-30-25(27)23-16-12-13-17-24(23)26(28)31-21-22(15-7-5-2)18-20-29-3/h12-13,16-17,22H,4-11,14-15,18-21H2,1-3H3
InChIKey DMIKKOSROWROKD-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9d0yHzrHZDv
Name Phthalic acid, 2-(2-methoxyethyl)hexyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-4-6-8-9-10-11-14-19-30-25(27)23-16-12-13-17-24(23)26(28)31-21-22(15-7-5-2)18-20-29-3/h12-13,16-17,22H,4-11,14-15,18-21H2,1-3H3
InChIKey DMIKKOSROWROKD-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCCCCC)=O)(CCCC)CCOC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914334