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benzenesulfonic acid, anhydride with isocyanic acid

View entire compound with spectra: 6 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

benzenesulfonic acid, anhydride with isocyanic acid
SpectraBase Compound ID 6c5WDh6bNlH
InChI InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
InChIKey UJYAZVSPFMJCLW-UHFFFAOYSA-N
Mol Weight 183.18 g/mol
Molecular Formula C7H5NO3S
Exact Mass 182.999014 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HcJbMZjUhj8
Name Benzenesulfonyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 232297
CAS Registry Number 2845-62-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO3S
InChI InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
InChIKey UJYAZVSPFMJCLW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003581