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Methyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}acetate
SpectraBase Compound ID 8nZGuEiEcLZ
InChI InChI=1S/C11H8F6O4S/c1-21-9(18)5-22(19,20)8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-4H,5H2,1H3
InChIKey FKUQSSKZAQALQB-UHFFFAOYSA-N
Mol Weight 350.23 g/mol
Molecular Formula C11H8F6O4S
Exact Mass 350.004749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArQlnTGvWW1
Name Methyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}acetate
Alternate Name(s) Methyl 2-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8F6O4S
InChI InChI=1S/C11H8F6O4S/c1-21-9(18)5-22(19,20)8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-4H,5H2,1H3
InChIKey FKUQSSKZAQALQB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800194
Molecular Weight 350.231 g/mol
SMILES c1(S(CC(=O)OC)(=O)=O)cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH splash10-03di-3290000000-08eb771e6ae520ae295d
Source of Spectrum ASC-350-1823/SM2-5a
Wiley ID 1765727