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3-(4-Trifluoromethylphenyl)cyclohexene
SpectraBase Compound ID 9AxUuxAzzeA
InChI InChI=1S/C13H13F3/c14-13(15,16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6-10H,1,3,5H2
InChIKey CCVDCYRMNHOFHB-UHFFFAOYSA-N
Mol Weight 226.24 g/mol
Molecular Formula C13H13F3
Exact Mass 226.096935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XSZzRHeqYQ
Name 3-(4-Trifluoromethylphenyl)cyclohexene
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3
InChI InChI=1S/C13H13F3/c14-13(15,16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6-10H,1,3,5H2
InChIKey CCVDCYRMNHOFHB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.orglett.1c00812
Molecular Weight 226.242 g/mol
Reported Formula C13H13F3
SMILES c1cc(C2CCCC=C2)ccc1C(F)(F)F
SPLASH splash10-004i-0290000000-0c60e199a2ec3751fb07
Source of Spectrum A1-23-SM101-3d
Wiley ID 1868203