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Phthalic acid, 2-ethylbutyl nonyl ester

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

Phthalic acid, 2-ethylbutyl nonyl ester
SpectraBase Compound ID IrwDi3Zmi4A
InChI InChI=1S/C23H36O4/c1-4-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(5-2)6-3/h12-13,15-16,19H,4-11,14,17-18H2,1-3H3
InChIKey GTCNGLRVGFYZLF-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3MdK16EdQHz
Name Phthalic acid, 2-ethylbutyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(5-2)6-3/h12-13,15-16,19H,4-11,14,17-18H2,1-3H3
InChIKey GTCNGLRVGFYZLF-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874089