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(1R,2S,5S)-4-Benzyloxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl Nonaflate
SpectraBase Compound ID JJvENssr9KA
InChI InChI=1S/C20H17F9O5S/c1-15-8-9-16(2,34-15)14(32-11-12-6-4-3-5-7-12)13(10-15)33-35(30,31)20(28,29)18(23,24)17(21,22)19(25,26)27/h3-10,14H,11H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey SPYQJSXXDXATIT-OWCLPIDISA-N
Mol Weight 540.4 g/mol
Molecular Formula C20H17F9O5S
Exact Mass 540.065298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dMUqjtG4ew
Name (1R,2S,5S)-4-Benzyloxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl Nonaflate
Alternate Name(s) (1R,2S,5S)-2-(benzyloxy)-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-3,6-dien-3-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F9O5S
InChI InChI=1S/C20H17F9O5S/c1-15-8-9-16(2,34-15)14(32-11-12-6-4-3-5-7-12)13(10-15)33-35(30,31)20(28,29)18(23,24)17(21,22)19(25,26)27/h3-10,14H,11H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey SPYQJSXXDXATIT-OWCLPIDISA-N
Literature Reference DOI 10.1002/adsc.200404194
Molecular Weight 540.397 g/mol
SMILES C(F)(S(=O)(=O)OC=1[C@]([C@]2(C=C[C@@](C1)(O2)C)C)(OCc1ccccc1)[H])(C(C(C(F)(F)F)(F)F)(F)F)F
SPLASH splash10-0006-7904600000-17a291403f4e1d1aca52
Source of Spectrum ASC-346-1874-8
Wiley ID 1767531