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3-chloro-4'-fluoro-4-methyl-1,1'-biphenyl
SpectraBase Compound ID 5LbCIo3JUQm
InChI InChI=1S/C13H10ClF/c1-9-2-3-11(8-13(9)14)10-4-6-12(15)7-5-10/h2-8H,1H3
InChIKey KXKWMVMCGWCQMY-UHFFFAOYSA-N
Mol Weight 220.67 g/mol
Molecular Formula C13H10ClF
Exact Mass 220.045506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 552w2w3IFNy
Name 3-chloro-4'-fluoro-4-methyl-1,1'-biphenyl
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClF
InChI InChI=1S/C13H10ClF/c1-9-2-3-11(8-13(9)14)10-4-6-12(15)7-5-10/h2-8H,1H3
InChIKey KXKWMVMCGWCQMY-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 220.674 g/mol
Reported Formula C13H10(35)ClF
SMILES c1c(C)c(cc(c1)-c1ccc(cc1)F)Cl
SPLASH splash10-00ei-0960000000-78e8ca045b2a96c36d41
Source of Spectrum ACI-59-SM15-23
Thin-Layer Chromatography Rf = 0.74 (Pentane)
Wiley ID 1856885