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4,9-Bis(2,2,2-trifluoroacetoxy)diamantane
SpectraBase Compound ID 6JpvxANpp56
InChI InChI=1S/C18H18F6O4/c19-17(20,21)13(25)27-15-1-7-8-4-16(28-14(26)18(22,23)24)5-9(7)11(3-15)12(6-16)10(8)2-15/h7-12H,1-6H2
InChIKey IQOVUMWZPMNDEA-UHFFFAOYSA-N
Mol Weight 412.33 g/mol
Molecular Formula C18H18F6O4
Exact Mass 412.110928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUlUvB2HPY8
Name 4,9-Bis(2,2,2-trifluoroacetoxy)diamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F6O4
InChI InChI=1S/C18H18F6O4/c19-17(20,21)13(25)27-15-1-7-8-4-16(28-14(26)18(22,23)24)5-9(7)11(3-15)12(6-16)10(8)2-15/h7-12H,1-6H2
InChIKey IQOVUMWZPMNDEA-UHFFFAOYSA-N
Molecular Weight 412.328 g/mol
SMILES C12C3C4CC(C2)(OC(C(F)(F)F)=O)CC2C1CC(OC(C(F)(F)F)=O)(CC42)C3
SPLASH splash10-0uxv-5930000000-39f824d83318779711ae
Source of Spectrum F4-46-796-55
Synonyms (4r,4ar,8r,8ar,9r,10r)-decahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalene-2,6-diyl bis(2,2,2-trifluoroacetate)
Wiley ID 1741780