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[p-(Dodecyloxy)benzoyl]acetic acid, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

[p-(Dodecyloxy)benzoyl]acetic acid, methyl ester
SpectraBase Compound ID Li98txfGtaC
InChI InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-17-26-20-15-13-19(14-16-20)21(23)18-22(24)25-2/h13-16H,3-12,17-18H2,1-2H3
InChIKey OPGXDWXSOXBTNY-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Awq16nGVugW
Name [p-(Dodecyloxy)benzoyl]acetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-17-26-20-15-13-19(14-16-20)21(23)18-22(24)25-2/h13-16H,3-12,17-18H2,1-2H3
InChIKey OPGXDWXSOXBTNY-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C=1C(=CC=C(C1)C(CC(OC)=O)=O)OCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.932587