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Phthalic acid, decyl 2-ethylbutyl ester

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

Phthalic acid, decyl 2-ethylbutyl ester
SpectraBase Compound ID 50s4b6R5pkU
InChI InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(5-2)6-3/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3
InChIKey CQJDEMSEOLDSAI-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2SIInC2X7df
Name Phthalic acid, decyl 2-ethylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(5-2)6-3/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3
InChIKey CQJDEMSEOLDSAI-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803231