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3-(4-Bromo-3-methylphenyl)cyclohexanone
SpectraBase Compound ID 8UqJEmBdrvj
InChI InChI=1S/C13H15BrO/c1-9-7-11(5-6-13(9)14)10-3-2-4-12(15)8-10/h5-7,10H,2-4,8H2,1H3
InChIKey IRAFPDCZGAHNCC-UHFFFAOYSA-N
Mol Weight 267.17 g/mol
Molecular Formula C13H15BrO
Exact Mass 266.030628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7u3ijrRfxn2
Name 3-(4-Bromo-3-methylphenyl)cyclohexanone
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.030628102 u
Formula C13H15BrO
InChI InChI=1S/C13H15BrO/c1-9-7-11(5-6-13(9)14)10-3-2-4-12(15)8-10/h5-7,10H,2-4,8H2,1H3
InChIKey IRAFPDCZGAHNCC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508719
Molecular Weight 267.166 g/mol
Quality 475
Reported Formula C13H15OBr
SMILES C1(Br)=C(C=C(C=C1)C1CC(CCC1)=O)C
SPLASH splash10-0159-2970000000-835cb049694497eb98a0
Source of Spectrum ACI-55-SM36-29c (DOI: 10.1002/anie.201508719)
Wiley ID 1895109