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(2R*,4R* / 4S*)-2-Ethoxy-6,6-dimethyl-4-(perfluorobutyl)-tetrahydropyran-3-one
SpectraBase Compound ID 3KXt23gGhZR
InChI InChI=1S/C13H15F9O3/c1-4-24-8-7(23)6(5-9(2,3)25-8)10(14,15)11(16,17)12(18,19)13(20,21)22/h6,8H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey OHPOVZJYLSBOPM-POYBYMJQSA-N
Mol Weight 390.25 g/mol
Molecular Formula C13H15F9O3
Exact Mass 390.087748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VjECC7hmAb
Name (2R*,4R* / 4S*)-2-Ethoxy-6,6-dimethyl-4-(perfluorobutyl)-tetrahydropyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F9O3
InChI InChI=1S/C13H15F9O3/c1-4-24-8-7(23)6(5-9(2,3)25-8)10(14,15)11(16,17)12(18,19)13(20,21)22/h6,8H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey OHPOVZJYLSBOPM-POYBYMJQSA-N
Molecular Weight 390.246 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C([C@@]1(C([C@](OCC)(OC(C1)(C)C)[H])=O)[H])(F)F)(F)F
SPLASH splash10-00mp-0229000000-0b3f79be78c0b416c962
Source of Spectrum U1-2009-5827-12e/I
Wiley ID 1697379