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2-TRIFLUOROMETHYL-CYCLOHEPTANONE

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2-TRIFLUOROMETHYL-CYCLOHEPTANONE
SpectraBase Compound ID ITZdOMQCtxZ
InChI InChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7(6)12/h6H,1-5H2
InChIKey TXIFKBPXGOUFOF-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 6TiP93Fr0JB
Name 2-TRIFLUOROMETHYL-CYCLOHEPTANONE
Compound Number 3B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11F3O
InChI InChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7(6)12/h6H,1-5H2
InChIKey TXIFKBPXGOUFOF-UHFFFAOYSA-N
Literature Reference Author Y.ITOH,K.MIKAMI
Literature Reference Citation ORG.LETTERS,7,649(2005)
Literature Reference DOI 10.1021/ol047565a
Molecular Weight 180.170 g/mol
Sample ID 42151
Solvent CDCl3