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1-Bromo-4-(4,4-difluorocyclohexyl)benzene
SpectraBase Compound ID 50r3y6fx67W
InChI InChI=1S/C12H13BrF2/c13-11-3-1-9(2-4-11)10-5-7-12(14,15)8-6-10/h1-4,10H,5-8H2
InChIKey DGWJMXYWLWPYKC-UHFFFAOYSA-N
Mol Weight 275.14 g/mol
Molecular Formula C12H13BrF2
Exact Mass 274.01687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37S4KzvC1gU
Name 1-Bromo-4-(4,4-difluorocyclohexyl)benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.016869745 u
Formula C12H13BrF2
InChI InChI=1S/C12H13BrF2/c13-11-3-1-9(2-4-11)10-5-7-12(14,15)8-6-10/h1-4,10H,5-8H2
InChIKey DGWJMXYWLWPYKC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605463
Molecular Weight 275.137 g/mol
Quality 169
SMILES C1(Br)=CC=C(C=C1)C1CCC(CC1)(F)F
SPLASH splash10-014i-3940000000-0116a172ef45b2383a87
Source of Spectrum ACI-55-SM52-3 (DOI: 10.1002/anie.201605463)
Thin-Layer Chromatography 0.5 (hexanes/EtOAc, 15:1)
Wiley ID 1901033