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p-toluenesulfonic acid, anhydride with isocyanic acid
SpectraBase Compound ID I9h012hkT1Y
InChI InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChIKey VLJQDHDVZJXNQL-UHFFFAOYSA-N
Mol Weight 197.21 g/mol
Molecular Formula C8H7NO3S
Exact Mass 197.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75ecjrwBOMl
Name Benzenesulfonyl isocyanate, 4-methyl-
CAS Registry Number 4083-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3S
InChI InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChIKey VLJQDHDVZJXNQL-UHFFFAOYSA-N
Molecular Weight 197.208 g/mol
SMILES c1(S(N=C=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9400000000-453ec73a35a32d20f344
Source of Spectrum IC-469-0-0
Synonyms 4-Isocyanatosulphonyltoluene, 4-Methyl-N-(oxidanylidenemethylidene)benzenesulfonamide 4-Methyl-N-(oxomethylene)benzenesulfonamide 4-Methyl-N-(oxomethylidene)benzenesulfonamide 4-Methylbenzenesulfonyl isocyanate 4-Methylphenylsulfonyl isocyanate 4-Toluenesulfonyl isocyanate N-(ketomethylene)-4-methyl-benzenesulfonamide p-Methylphenylsulfonyl isocyanate p-Toluenesulfonic acid, anhydride with isocyanic acid p-Toluenesulfonyl isocyanate p-Toluenesulphonyl isocyanate p-Toluensulfonyl isocyanate p-Tolylsulfonyl isocyanate p-Tosyl isocyanate Sulfone, isocyanato tolyl Tosyl isocyanate EINECS 223-810-8
Wiley ID 1194237