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2-Chloro-5-methylsulfonyl phenylisothiecyanate
SpectraBase Compound ID 1DKEmlJeNR5
InChI InChI=1S/C8H6ClNO2S2/c1-14(11,12)6-2-3-7(9)8(4-6)10-5-13/h2-4H,1H3
InChIKey QWPHUDXQVAYVAP-UHFFFAOYSA-N
Mol Weight 247.71 g/mol
Molecular Formula C8H6ClNO2S2
Exact Mass 246.952848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtZ8eFVFYDf
Name 2-Chloro-5-methylsulfonyl phenylisothiecyanate
Alternate Name(s) 1-Chloro-2-isothiocyanato-4-(methylsulfonyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO2S2
InChI InChI=1S/C8H6ClNO2S2/c1-14(11,12)6-2-3-7(9)8(4-6)10-5-13/h2-4H,1H3
InChIKey QWPHUDXQVAYVAP-UHFFFAOYSA-N
Molecular Weight 247.714 g/mol
SMILES c1(c(ccc(c1)S(=O)(=O)C)Cl)N=C=S
SPLASH splash10-0002-0690000000-ee225d6de3855590c1b5
Source of Spectrum JX-2015-6-12057
Wiley ID 1731170