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Adipic acid, di(2-tert-butylphenyl) ester

View entire compound with spectra: 1 FTIR

Adipic acid, di(2-tert-butylphenyl) ester
SpectraBase Compound ID 7ZrTEHXqUhB
InChI InChI=1S/C26H34O4/c1-25(2,3)19-13-7-9-15-21(19)29-23(27)17-11-12-18-24(28)30-22-16-10-8-14-20(22)26(4,5)6/h7-10,13-16H,11-12,17-18H2,1-6H3
InChIKey HKDYUPILWNZMFC-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DgPMePGlzXs
Name Adipic acid, di(2-tert-butylphenyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-25(2,3)19-13-7-9-15-21(19)29-23(27)17-11-12-18-24(28)30-22-16-10-8-14-20(22)26(4,5)6/h7-10,13-16H,11-12,17-18H2,1-6H3
InChIKey HKDYUPILWNZMFC-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(=O)(CCCCC(OC=1C(C(C)(C)C)=CC=CC1)=O)OC1=C(C=CC=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846757