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Tert-Butyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-2-fluoroacetate
SpectraBase Compound ID 1morWe7t8jf
InChI InChI=1S/C14H13F7O4S/c1-12(2,3)25-11(22)10(15)26(23,24)9-5-7(13(16,17)18)4-8(6-9)14(19,20)21/h4-6,10H,1-3H3
InChIKey CTUDDPZXWLBZLI-UHFFFAOYSA-N
Mol Weight 410.3 g/mol
Molecular Formula C14H13F7O4S
Exact Mass 410.042277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wvxMReaCmV
Name Tert-Butyl 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-2-fluoroacetate
Alternate Name(s) tert-Butyl 2-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-2-fluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F7O4S
InChI InChI=1S/C14H13F7O4S/c1-12(2,3)25-11(22)10(15)26(23,24)9-5-7(13(16,17)18)4-8(6-9)14(19,20)21/h4-6,10H,1-3H3
InChIKey CTUDDPZXWLBZLI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800194
Molecular Weight 410.303 g/mol
SMILES c1(S(C(C(=O)OC(C)(C)C)F)(=O)=O)cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-06r5-9530000000-1b34321d02d5fa9d32bf
Source of Spectrum ASC-350-1823/SM3-3b
Wiley ID 1765725