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(1S*,4S*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID 8wZFvCOsEMY
InChI InChI=1S/C14H17F3O6S/c1-12(2)7-5-8(10(18)22-4)13(3,11(12)19)6-9(7)23-24(20,21)14(15,16)17/h6-8H,5H2,1-4H3/t7-,8+,13-/m0/s1
InChIKey BQOOBELRFQZBSA-DAROEXNTSA-N
Mol Weight 370.34 g/mol
Molecular Formula C14H17F3O6S
Exact Mass 370.069794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xpGhb5aQGv
Name (1S*,4S*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O6S
InChI InChI=1S/C14H17F3O6S/c1-12(2)7-5-8(10(18)22-4)13(3,11(12)19)6-9(7)23-24(20,21)14(15,16)17/h6-8H,5H2,1-4H3/t7-,8+,13-/m0/s1
InChIKey BQOOBELRFQZBSA-DAROEXNTSA-N
Molecular Weight 370.339 g/mol
SMILES C(S(OC1=C[C@@]2(C)[C@](C[C@@]1(C(C2=O)(C)C)[H])(C(=O)OC)[H])(=O)=O)(F)(F)F
SPLASH splash10-014l-5960000000-c6359e4dbc5ea82f2c51
Source of Spectrum F-69-455-15
Synonyms Methyl (1S,2S,4S)-1,8,8-trimethyl-7-oxo-5-{[(trifluoromethyl)sulfonyl]oxy}bicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1594551