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Trifluoromethanesulfonic acid 2-((E)-1-methyl-3-oxo-propenyl)-thiazol-4-yl ester
SpectraBase Compound ID 9ew4tATaDiJ
InChI InChI=1S/C8H6F3NO4S2/c1-5(2-3-13)7-12-6(4-17-7)16-18(14,15)8(9,10)11/h2-4H,1H3/b5-2+
InChIKey QDWWKTNAHKILNJ-GORDUTHDSA-N
Mol Weight 301.25 g/mol
Molecular Formula C8H6F3NO4S2
Exact Mass 300.969035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61Ky4dpnTu6
Name Trifluoromethanesulfonic acid 2-((E)-1-methyl-3-oxo-propenyl)-thiazol-4-yl ester
Alternate Name(s) (E)-2-(4-oxobut-2-en-2-yl)thiazol-4-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6F3NO4S2
InChI InChI=1S/C8H6F3NO4S2/c1-5(2-3-13)7-12-6(4-17-7)16-18(14,15)8(9,10)11/h2-4H,1H3/b5-2+
InChIKey QDWWKTNAHKILNJ-GORDUTHDSA-N
Literature Reference DOI 10.1021/ol900893e
Molecular Weight 301.254 g/mol
SMILES C(=O)\C=C/(C)c1scc(OS(C(F)(F)F)(=O)=O)n1
SPLASH splash10-014l-5900000000-ac436fcd672bedb2536d
Source of Spectrum A1-11-2756/SMS9-16a
Wiley ID 1756849