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o-Toluenesulfonyl isocyanate

View entire compound with spectra: 2 NMR, and 2 FTIR

o-Toluenesulfonyl isocyanate
SpectraBase Compound ID 79Z3N7D2Vng
InChI InChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3
InChIKey HEBTZZBBPUFAFE-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 AkyyrcT34vr
Name o-Toluenesulfonyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 341770
CAS Registry Number 32324-19-9
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/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3
InChIKey HEBTZZBBPUFAFE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007067