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2-Bromo-2'-chloro-4'-fluoro-4,5-dimethylbiphenyl
SpectraBase Compound ID CEpd1STCbib
InChI InChI=1S/C14H11BrClF/c1-8-5-12(13(15)6-9(8)2)11-4-3-10(17)7-14(11)16/h3-7H,1-2H3
InChIKey NMZKFHKZZCSXFU-UHFFFAOYSA-N
Mol Weight 313.6 g/mol
Molecular Formula C14H11BrClF
Exact Mass 311.971669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVXxGHTp1RO
Name 2-Bromo-2'-chloro-4'-fluoro-4,5-dimethylbiphenyl
Appearance White solid
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Exact Mass 311.971669217 u
Formula C14H11BrClF
InChI InChI=1S/C14H11BrClF/c1-8-5-12(13(15)6-9(8)2)11-4-3-10(17)7-14(11)16/h3-7H,1-2H3
InChIKey NMZKFHKZZCSXFU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708892
Molecular Weight 313.597 g/mol
Reported Formula C14H11BrClF
SMILES C1(Br)=C(C=C(C(=C1)C)C)C1=C(C=C(C=C1)F)Cl
SPLASH splash10-03di-0009000000-912f25ea68040645fd4d
Source of Spectrum ACI-56-SM5-4g (DOI: 10.1002/anie.201708892)
Wiley ID 1896536