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2-(2,4-Dichloro-phenoxy)-propanoic acid, methyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, 1 Raman, and 12 MS (GC)

2-(2,4-Dichloro-phenoxy)-propanoic acid, methyl ester
SpectraBase Compound ID 5CO6rAfcbsV
InChI InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3
InChIKey SCHCPDWDIOTCMJ-UHFFFAOYSA-N
Mol Weight 249.09 g/mol
Molecular Formula C10H10Cl2O3
Exact Mass 248.0007 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BW2mGWi49Kz
Name 2-(2,4-Dichlorophenoxy)propanoic acid, methyl ester; 2-(2,4-dichlorophenoxy)propionic acid, methyl ester; methyl 2-(2,4-dichlorophenoxy)propionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.000699579 u
Formula C10H10Cl2O3
InChI InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3
InChIKey SCHCPDWDIOTCMJ-UHFFFAOYSA-N
Molecular Weight 249.093 g/mol
SMILES C(C(C)OC1=C(C=C(C=C1)Cl)Cl)(OC)=O
Spectrum/Structure Validation Score (Raman) 0.703871