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(3S*,6R*)-4-(Propan-2-ylidene)-6-[4-(trifluoromethyl)phenyl]oxan-3-ol
SpectraBase Compound ID 60IjAarWE1i
InChI InChI=1S/C15H17F3O2/c1-9(2)12-7-14(20-8-13(12)19)10-3-5-11(6-4-10)15(16,17)18/h3-6,13-14,19H,7-8H2,1-2H3/t13-,14-/m1/s1
InChIKey MPTSQBCTSUDHQA-ZIAGYGMSSA-N
Mol Weight 286.29 g/mol
Molecular Formula C15H17F3O2
Exact Mass 286.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yqF9FuXOYo
Name (3S*,6R*)-4-(Propan-2-ylidene)-6-[4-(trifluoromethyl)phenyl]oxan-3-ol
Alternate Name(s) (3S,6R)-4-(propan-2-ylidene)-6-(4-(trifluoromethyl)phenyl)tetrahydro-2H-pyran-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17F3O2
InChI InChI=1S/C15H17F3O2/c1-9(2)12-7-14(20-8-13(12)19)10-3-5-11(6-4-10)15(16,17)18/h3-6,13-14,19H,7-8H2,1-2H3/t13-,14-/m1/s1
InChIKey MPTSQBCTSUDHQA-ZIAGYGMSSA-N
Literature Reference DOI 10.1002/anie.201205913
Molecular Weight 286.294 g/mol
SMILES O[C@@]1(CO[C@](CC1=C(C)C)(c1ccc(cc1)C(F)(F)F)[H])[H]
SPLASH splash10-069s-9210000000-639a5249ef4ff8263d14
Source of Spectrum ACI-51-SMS-36-10g
Wiley ID 1780775