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2-(4-Chloro-2-iodophenoxy)acetic acid methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-(4-Chloro-2-iodophenoxy)acetic acid methyl ester
SpectraBase Compound ID GdRTcFf4RoL
InChI InChI=1S/C9H8ClIO3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKey VQZFJWUIZPYZDG-UHFFFAOYSA-N
Mol Weight 326.52 g/mol
Molecular Formula C9H8ClIO3
Exact Mass 325.920667 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3LEVIk7TqS8
Name 2-(4-Chloro-2-iodo-phenoxy)acetic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.920666815 u
Formula C9H8ClIO3
InChI InChI=1S/C9H8ClIO3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKey VQZFJWUIZPYZDG-UHFFFAOYSA-N
Molecular Weight 326.517 g/mol
SMILES C(COC=1C(=CC(=CC1)Cl)I)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800335