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Phthalic acid, dodecyl 2-ethylbutyl ester

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

Phthalic acid, dodecyl 2-ethylbutyl ester
SpectraBase Compound ID Kck8oKYtkRz
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(5-2)6-3/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3
InChIKey KULUMCQDPOBFAW-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eu1hjQVCmol
Name Phthalic acid, dodecyl 2-ethylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(5-2)6-3/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3
InChIKey KULUMCQDPOBFAW-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803882