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3-Chlorophenol, heptafluorobutyrate

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3-Chlorophenol, heptafluorobutyrate
SpectraBase Compound ID 8RBLEUaFrar
InChI InChI=1S/C10H4ClF7O2/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey JTYHYRBWKFYRMF-UHFFFAOYSA-N
Mol Weight 324.58 g/mol
Molecular Formula C10H4ClF7O2
Exact Mass 323.978804 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BhNfSnitZ32
Name 3-Chlorophenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.978804208 u
Formula C10H4ClF7O2
InChI InChI=1S/C10H4ClF7O2/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey JTYHYRBWKFYRMF-UHFFFAOYSA-N
Molecular Weight 324.582 g/mol
SMILES C1=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93855