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3-[(Trifluoromethanesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
SpectraBase Compound ID IAVn4YsuNdH
InChI InChI=1S/C11H5F3N2O3S2/c12-11(13,14)21(17,18)19-10-8(6-15)9(20-16-10)7-4-2-1-3-5-7/h1-5H
InChIKey PLMDSONXEKGSJJ-UHFFFAOYSA-N
Mol Weight 334.29 g/mol
Molecular Formula C11H5F3N2O3S2
Exact Mass 333.969369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jEp91dQyRs
Name 3-[(Trifluoromethanesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5F3N2O3S2
InChI InChI=1S/C11H5F3N2O3S2/c12-11(13,14)21(17,18)19-10-8(6-15)9(20-16-10)7-4-2-1-3-5-7/h1-5H
InChIKey PLMDSONXEKGSJJ-UHFFFAOYSA-N
Molecular Weight 334.287 g/mol
SMILES c1(OS(C(F)(F)F)(=O)=O)c(c(-c2ccccc2)sn1)C#N
SPLASH splash10-00l2-3924000000-9c014fe6714ab8fa7c6e
Source of Spectrum F5-4-3689-25
Synonyms 4-Cyano-5-phenylisothiazol-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid (4-cyano-5-phenyl-3-isothiazolyl) ester (4-cyano-5-phenyl-1,2-thiazol-3-yl) trifluoromethanesulfonate (4-cyano-5-phenyl-isothiazol-3-yl) trifluoromethanesulfonate (4-cyano-5-phenyl-1,2-thiazol-3-yl) tris(fluoranyl)methanesulfonate
Wiley ID 1733007