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(1R,2S,5S)-2,4-Dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl Nonaflate
SpectraBase Compound ID JZIrAsONQqN
InChI InChI=1S/C13H11F9O4S/c1-5-7-3-4-8(25-7)6(2)9(5)26-27(23,24)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-5,7-8H,1-2H3/t5-,7+,8-/m0/s1
InChIKey KZAUKCAMLWZXNA-ARDNSNSESA-N
Mol Weight 434.27 g/mol
Molecular Formula C13H11F9O4S
Exact Mass 434.023433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vZzAZUoHyC
Name (1R,2S,5S)-2,4-Dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl Nonaflate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F9O4S
InChI InChI=1S/C13H11F9O4S/c1-5-7-3-4-8(25-7)6(2)9(5)26-27(23,24)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-5,7-8H,1-2H3/t5-,7+,8-/m0/s1
InChIKey KZAUKCAMLWZXNA-ARDNSNSESA-N
Literature Reference DOI 10.1002/adsc.200404194
Molecular Weight 434.273 g/mol
SMILES C(F)(S(OC1=C([C@]2([H])C=C[C@]([H])([C@@]1(C)[H])O2)C)(=O)=O)(C(C(C(F)(F)F)(F)F)(F)F)F
SPLASH splash10-0a4i-9700100000-918a8f6d383d286da5e3
Source of Spectrum ASC-346-1874-12
Synonyms (1R,2S,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-3,6-dien-3-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Wiley ID 1767516