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Diethyl (trifluoromethylsulphonyl)malonate
SpectraBase Compound ID 6GR3nTbKQpL
InChI InChI=1S/C8H11F3O6S/c1-3-16-6(12)5(7(13)17-4-2)18(14,15)8(9,10)11/h5H,3-4H2,1-2H3
InChIKey MPGWOCWFUSALQO-UHFFFAOYSA-N
Mol Weight 292.23 g/mol
Molecular Formula C8H11F3O6S
Exact Mass 292.022844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6tyLKNJGS2
Name Diethyl (trifluoromethylsulphonyl)malonate
Alternate Name(s) Diethyl 2-[(trifluoromethyl)sulfonyl]malonate 2-(trifluoromethylsulfonyl)propanedioic acid diethyl ester Diethyl 2-(trifluoromethylsulfonyl)propanedioate
CAS Registry Number 54007-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11F3O6S
InChI InChI=1S/C8H11F3O6S/c1-3-16-6(12)5(7(13)17-4-2)18(14,15)8(9,10)11/h5H,3-4H2,1-2H3
InChIKey MPGWOCWFUSALQO-UHFFFAOYSA-N
Molecular Weight 292.225 g/mol
SMILES C(S(C(F)(F)F)(=O)=O)(C(=O)OCC)C(=O)OCC
SPLASH splash10-03di-8910000000-92f26099b04a76e93311
Source of Spectrum K-125-576-5
Wiley ID 1294866