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2-[5'-Bromo-2'-(methoxyphenyl)]-4-fluoro-4-methylcyclohexan-1-one
SpectraBase Compound ID 3nhVUM0OhDn
InChI InChI=1S/C14H16BrFO2/c1-14(16)6-5-12(17)11(8-14)10-7-9(15)3-4-13(10)18-2/h3-4,7,11H,5-6,8H2,1-2H3/t11?,14-/m1/s1
InChIKey DIZXJUHOVMICIF-SBXXRYSUSA-N
Mol Weight 315.18 g/mol
Molecular Formula C14H16BrFO2
Exact Mass 314.031771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Bblexyf5lV
Name 2-[5'-Bromo-2'-(methoxyphenyl)]-4-fluoro-4-methylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16BrFO2
InChI InChI=1S/C14H16BrFO2/c1-14(16)6-5-12(17)11(8-14)10-7-9(15)3-4-13(10)18-2/h3-4,7,11H,5-6,8H2,1-2H3/t11?,14-/m1/s1
InChIKey DIZXJUHOVMICIF-SBXXRYSUSA-N
Molecular Weight 315.182 g/mol
SMILES c1(C2C(=O)CC[C@](C2)(F)C)c(ccc(c1)Br)OC
SPLASH splash10-03xr-0819000000-ed9bf2f04e9a9bd04626
Source of Spectrum AC-1991-542-14
Synonyms (4R)-2-(5-bromo-2-methoxyphenyl)-4-fluoro-4-methylcyclohexanone
Wiley ID 747908