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3-Chloro-5-trifluoromethanesulfonoxy-4H-1,2,6-thiadiazin-4-one
SpectraBase Compound ID WWDMcksXYB
InChI InChI=1S/C4ClF3N2O4S2/c5-2-1(11)3(10-15-9-2)14-16(12,13)4(6,7)8
InChIKey DRINRKYXSNMRNE-UHFFFAOYSA-N
Mol Weight 296.62 g/mol
Molecular Formula C4ClF3N2O4S2
Exact Mass 295.894011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7smZOxV3X4
Name 3-Chloro-5-trifluoromethanesulfonoxy-4H-1,2,6-thiadiazin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4ClF3N2O4S2
InChI InChI=1S/C4ClF3N2O4S2/c5-2-1(11)3(10-15-9-2)14-16(12,13)4(6,7)8
InChIKey DRINRKYXSNMRNE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2025235
Molecular Weight 296.622 g/mol
SMILES C=1(Cl)C(C(OS(C(F)(F)F)(=O)=O)=NSN1)=O
SPLASH splash10-014l-9420000000-2041fd896ace8a15df1d
Source of Spectrum A1-13-5886/SMS6-8
Synonyms 5-Chloro-4-oxo-4H-1,2,6-thiadiazin-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid (5-chloro-4-oxo-1,2,6-thiadiazin-3-yl) ester (5-chloro-4-oxo-1,2,6-thiadiazin-3-yl) trifluoromethanesulfonate (5-chloranyl-4-oxidanylidene-1,2,6-thiadiazin-3-yl) tris(fluoranyl)methanesulfonate
Wiley ID 1753906