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3-[(Methanesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
SpectraBase Compound ID 79dcHzjFRgj
InChI InChI=1S/C11H8N2O3S2/c1-18(14,15)16-11-9(7-12)10(17-13-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey GAJMPHOTTQMBQO-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C11H8N2O3S2
Exact Mass 279.997634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSX4xKS6uCX
Name 3-[(Methanesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O3S2
InChI InChI=1S/C11H8N2O3S2/c1-18(14,15)16-11-9(7-12)10(17-13-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey GAJMPHOTTQMBQO-UHFFFAOYSA-N
Molecular Weight 280.316 g/mol
SMILES c1(c(nsc1-c1ccccc1)OS(=O)(=O)C)C#N
SPLASH splash10-0ufr-3890000000-56a435dfe5830ae6c997
Source of Spectrum F5-4-3689-23
Synonyms 4-Cyano-5-phenylisothiazol-3-yl methanesulfonate Methanesulfonic acid (4-cyano-5-phenyl-3-isothiazolyl) ester (4-cyano-5-phenyl-isothiazol-3-yl) methanesulfonate (4-cyano-5-phenyl-1,2-thiazol-3-yl) methanesulfonate
Wiley ID 1733011