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2-Chloro-6-fluorophenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2-Chloro-6-fluorophenol, heptafluorobutyrate
SpectraBase Compound ID A5pq4HbhjNT
InChI InChI=1S/C10H3ClF8O2/c11-4-2-1-3-5(12)6(4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey WLBWHPQOVGHKKA-UHFFFAOYSA-N
Mol Weight 342.57 g/mol
Molecular Formula C10H3ClF8O2
Exact Mass 341.969382 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4c9EoOSP8Fn
Name 2-Chloro-6-fluorophenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.969382339 u
Formula C10H3ClF8O2
InChI InChI=1S/C10H3ClF8O2/c11-4-2-1-3-5(12)6(4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey WLBWHPQOVGHKKA-UHFFFAOYSA-N
Molecular Weight 342.572 g/mol
SMILES C1(=CC=CC(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961078