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2-METHYL-2-TRIFLUOROMETHYL-CYCLOHEXANONE

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2-METHYL-2-TRIFLUOROMETHYL-CYCLOHEXANONE
SpectraBase Compound ID 1ctKwqEA69b
InChI InChI=1S/C8H11F3O/c1-7(8(9,10)11)5-3-2-4-6(7)12/h2-5H2,1H3
InChIKey XDXOUFPTPQNFFB-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C8H11F3O
Exact Mass 180.076199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yoHRN40hDF
Name 2-METHYL-2-TRIFLUOROMETHYL-CYCLOHEXANONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11F3O
InChI InChI=1S/C8H11F3O/c1-7(8(9,10)11)5-3-2-4-6(7)12/h2-5H2,1H3
InChIKey XDXOUFPTPQNFFB-UHFFFAOYSA-N
Literature Reference Author K.MIKAMI,Y.TOMITA,Y.ICHIKAWA,K.AMIKURA,Y.ITOH
Literature Reference Citation ORG.LETTERS,8,4671(2006)
Literature Reference DOI 10.1021/ol0611301
Molecular Weight 180.170 g/mol
Sample ID 61662
Solvent CDCl3