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2-Chloro-4-methoxyphenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2-Chloro-4-methoxyphenol, heptafluorobutyrate
SpectraBase Compound ID JmFjUIs5Du6
InChI InChI=1S/C11H6ClF7O3/c1-21-5-2-3-7(6(12)4-5)22-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey ICQDSAFHGWEURK-UHFFFAOYSA-N
Mol Weight 354.61 g/mol
Molecular Formula C11H6ClF7O3
Exact Mass 353.989369 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BZByZoA4b5P
Name 2-Chloro-4-methoxyphenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.989368891 u
Formula C11H6ClF7O3
InChI InChI=1S/C11H6ClF7O3/c1-21-5-2-3-7(6(12)4-5)22-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey ICQDSAFHGWEURK-UHFFFAOYSA-N
Molecular Weight 354.608 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928134