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6-Chloro-1-(3-fluoro-4-methoxyphenyl)-hexan-1-one

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

6-Chloro-1-(3-fluoro-4-methoxyphenyl)-hexan-1-one
SpectraBase Compound ID ADvSEogcjgu
InChI InChI=1S/C13H16ClFO2/c1-17-13-7-6-10(9-11(13)15)12(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3
InChIKey RLGOZXDPYCOCEV-UHFFFAOYSA-N
Mol Weight 258.72 g/mol
Molecular Formula C13H16ClFO2
Exact Mass 258.082286 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mFb9tPPHIX
Name 6-Chloro-1-(3-fluoro-4-methoxyphenyl)-hexan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.082285616 u
Formula C13H16ClFO2
InChI InChI=1S/C13H16ClFO2/c1-17-13-7-6-10(9-11(13)15)12(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3
InChIKey RLGOZXDPYCOCEV-UHFFFAOYSA-N
Molecular Weight 258.720 g/mol
SMILES C(CCC(C1=CC=C(C(=C1)F)OC)=O)CCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884707