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2,5-Dichlorophenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2,5-Dichlorophenol, heptafluorobutyrate
SpectraBase Compound ID 2HGNhEr71I0
InChI InChI=1S/C10H3Cl2F7O2/c11-4-1-2-5(12)6(3-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey PNBDORBVCNJZBB-UHFFFAOYSA-N
Mol Weight 359.03 g/mol
Molecular Formula C10H3Cl2F7O2
Exact Mass 357.939832 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8wMdBiLB8i
Name 2,5-Dichlorophenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.939831876 u
Formula C10H3Cl2F7O2
InChI InChI=1S/C10H3Cl2F7O2/c11-4-1-2-5(12)6(3-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey PNBDORBVCNJZBB-UHFFFAOYSA-N
Molecular Weight 359.027 g/mol
SMILES C1(=CC=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828047