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Benzenesulfonic acid, 2-chloro-5-isothiocyanato-
SpectraBase Compound ID FQ2hZXRNq8
InChI InChI=1S/C7H4ClNO3S2/c8-6-2-1-5(9-4-13)3-7(6)14(10,11)12/h1-3H,(H,10,11,12)
InChIKey SQGLQPBNEFQDNT-UHFFFAOYSA-N
Mol Weight 249.69 g/mol
Molecular Formula C7H4ClNO3S2
Exact Mass 248.932113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yBN478IoQM
Name Benzenesulfonic acid, 2-chloro-5-isothiocyanato-
Alternate Name(s) 2-Chloro-5-isothiocyanatobenzenesulfonic acid 2-Chloro-5-isothiocyanato-benzenesulfonic acid 2-Chloranyl-5-isothiocyanato-benzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO3S2
InChI InChI=1S/C7H4ClNO3S2/c8-6-2-1-5(9-4-13)3-7(6)14(10,11)12/h1-3H,(H,10,11,12)
InChIKey SQGLQPBNEFQDNT-UHFFFAOYSA-N
Molecular Weight 249.686 g/mol
SMILES OS(=O)(=O)c1cc(N=C=S)ccc1Cl
SPLASH splash10-0f6t-4790000000-f9c745d11a9b50831b9b
Source of Spectrum JX-2015-1-626
Wiley ID 1721425