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Methyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-2-fluoroacetate
SpectraBase Compound ID 7q1zofseMtQ
InChI InChI=1S/C11H7F7O4S/c1-22-9(19)8(12)23(20,21)7-3-5(10(13,14)15)2-6(4-7)11(16,17)18/h2-4,8H,1H3
InChIKey NSXCAYWSDFEQIY-UHFFFAOYSA-N
Mol Weight 368.22 g/mol
Molecular Formula C11H7F7O4S
Exact Mass 367.995327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HFOa6wJkP6
Name Methyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-2-fluoroacetate
Alternate Name(s) Methyl 2-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-2-fluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7F7O4S
InChI InChI=1S/C11H7F7O4S/c1-22-9(19)8(12)23(20,21)7-3-5(10(13,14)15)2-6(4-7)11(16,17)18/h2-4,8H,1H3
InChIKey NSXCAYWSDFEQIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800194
Molecular Weight 368.222 g/mol
SMILES c1(S(C(C(=O)OC)F)(=O)=O)cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH splash10-01oy-9360000000-3c375fc4d2a7e92348da
Source of Spectrum ASC-350-1823/SM3-3a
Wiley ID 1765724