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(2R*,4R* / 4S*,6S*)-2-Ethoxy-6-phenyl-4-(perfluorobutyl)-tetrahydropyran-3-one
SpectraBase Compound ID L0S8krnTulR
InChI InChI=1S/C17H15F9O3/c1-2-28-13-12(27)10(8-11(29-13)9-6-4-3-5-7-9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10-11,13H,2,8H2,1H3/t10-,11-,13+/m0/s1
InChIKey PPXHJYGRLPAVAH-GMXVVIOVSA-N
Mol Weight 438.29 g/mol
Molecular Formula C17H15F9O3
Exact Mass 438.087748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoDzrnGrbvF
Name (2R*,4R* / 4S*,6S*)-2-Ethoxy-6-phenyl-4-(perfluorobutyl)-tetrahydropyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F9O3
InChI InChI=1S/C17H15F9O3/c1-2-28-13-12(27)10(8-11(29-13)9-6-4-3-5-7-9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10-11,13H,2,8H2,1H3/t10-,11-,13+/m0/s1
InChIKey PPXHJYGRLPAVAH-GMXVVIOVSA-N
Molecular Weight 438.290 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C([C@@]1(C([C@](OCC)(O[C@@](C1)(c1ccccc1)[H])[H])=O)[H])(F)F)(F)F
SPLASH splash10-0pdi-2893000000-3895b0e6078baf06dee4
Source of Spectrum U1-2009-5827-(6S)-12d/I)
Wiley ID 1697381