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(2,4-Di-tert-pentylphenoxy)acetic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

(2,4-Di-tert-pentylphenoxy)acetic acid
SpectraBase Compound ID EYiD9yOF8vj
InChI InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)
InChIKey QXQMENSTZKYZCE-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AslL2YlMji8
Name (2,4-di-Tert-pentylphenoxy)acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.203844759 u
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)
InChIKey QXQMENSTZKYZCE-UHFFFAOYSA-N
Molecular Weight 292.419 g/mol
SMILES C(C)(C)(CC)C1=C(OCC(=O)O)C=CC(=C1)C(C)(C)CC
Spectrum/Structure Validation Score (Raman) 0.984444