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1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-2a,4-diol mono(trifluoroacetate)
SpectraBase Compound ID LIvyE9DbLuc
InChI InChI=1S/C12H17F3O4/c1-9(2)11(8(17)18-12(13,14)15)5-4-10(3,19-9)7(16)6-11/h7,16H,4-6H2,1-3H3/t7-,10-,11+/m0/s1
InChIKey DGEHWIUKYQWPGS-UHFFFAOYSA-N
Mol Weight 282.26 g/mol
Molecular Formula C12H17F3O4
Exact Mass 282.107894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A00CBEDUEhb
Name 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-2a,4-diol mono(trifluoroacetate)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17F3O4
InChI InChI=1S/C12H17F3O4/c1-9(2)11(8(17)18-12(13,14)15)5-4-10(3,19-9)7(16)6-11/h7,16H,4-6H2,1-3H3/t7-,10-,11+/m0/s1
InChIKey DGEHWIUKYQWPGS-UHFFFAOYSA-N
Molecular Weight 282.259 g/mol
SMILES O[C@]1(C[C@]2(C(OC(F)(F)F)=O)C(O[C@]1(CC2)C)(C)C)[H]
SPLASH splash10-0006-9300000000-808fd22e78f2ad1728e4
Source of Spectrum B-47-2087-0
Wiley ID 1285421