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2-Chloro-4-fluorophenyl heptanfluorobutyrate

View entire compound with spectra: 1 FTIR

2-Chloro-4-fluorophenyl heptanfluorobutyrate
SpectraBase Compound ID BNADu0p7ndy
InChI InChI=1S/C10H3ClF8O2/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey MPRBRTLOHUGHTL-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 EpUBpCTANZv
Name 2-Chloro-4-fluorophenyl heptanfluorobutyrate
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/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey MPRBRTLOHUGHTL-UHFFFAOYSA-N
Molecular Weight 342.572 g/mol
SMILES C1(=C(C=CC(=C1)F)OC(C(F)(F)C(F)(F)C(F)(F)F)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968594