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p-toluenesulfonic acid, anhydride with isocyanic acid

View entire compound with spectra: 5 NMR, 4 FTIR, 2 Raman, and 5 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DRHzsBgFMD
Name p-Toluenesulfonyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 189278
CAS Registry Number 4083-64-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Tosyl isocyanate
Wiley ID SIAL_13CNMR_002515