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(2R)-1,1,1-trifluoro-2-(p-tolyl)hex-5-en-2-ol
SpectraBase Compound ID B8vxWUjm5gC
InChI InChI=1S/C13H15F3O/c1-3-4-9-12(17,13(14,15)16)11-7-5-10(2)6-8-11/h3,5-8,17H,1,4,9H2,2H3/t12-/m1/s1
InChIKey DJGVQOKBEAGUDQ-GFCCVEGCSA-N
Mol Weight 244.26 g/mol
Molecular Formula C13H15F3O
Exact Mass 244.1075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 867iK0JEEtr
Name (2R)-1,1,1-trifluoro-2-(p-tolyl)hex-5-en-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.107499591 u
Formula C13H15F3O
InChI InChI=1S/C13H15F3O/c1-3-4-9-12(17,13(14,15)16)11-7-5-10(2)6-8-11/h3,5-8,17H,1,4,9H2,2H3/t12-/m1/s1
InChIKey DJGVQOKBEAGUDQ-GFCCVEGCSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 244.257 g/mol
Quality 207
Reported Formula C13H15OF3
SMILES O[C@](C=1C=CC(=CC1)C)(C(F)(F)F)CCC=C
SPLASH splash10-014i-2900000000-e159abdd2a6cc3ac58b3
Sample Comments 85% ee
Source of Spectrum ACI-61-SM25-13o' (DOI: 10.1002/anie.202208861)
Wiley ID 1899445