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1-Chloro-3-(1,2-difluoro-1-phenylethyl)benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Chloro-3-(1,2-difluoro-1-phenylethyl)benzene
SpectraBase Compound ID 90c05VmdtS1
InChI InChI=1S/C14H11ClF2/c15-13-8-4-7-12(9-13)14(17,10-16)11-5-2-1-3-6-11/h1-9H,10H2
InChIKey MTZSRIVYKRMIPV-UHFFFAOYSA-N
Mol Weight 252.69 g/mol
Molecular Formula C14H11ClF2
Exact Mass 252.051734 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4CetR7NUL1w
Name 1-Chloro-3-(1,2-difluoro-1-phenylethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.051734380 u
Formula C14H11ClF2
InChI InChI=1S/C14H11ClF2/c15-13-8-4-7-12(9-13)14(17,10-16)11-5-2-1-3-6-11/h1-9H,10H2
InChIKey MTZSRIVYKRMIPV-UHFFFAOYSA-N
Molecular Weight 252.692 g/mol
SMILES C(F)(C1=CC(Cl)=CC=C1)(C1=CC=CC=C1)CF
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836164