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4-(Chlorosulfonyl)phenyl isocyanate

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

4-(Chlorosulfonyl)phenyl isocyanate
SpectraBase Compound ID 8zorL7w1y0j
InChI InChI=1S/C7H4ClNO3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H
InChIKey PUXGCFRABSKGED-UHFFFAOYSA-N
Mol Weight 217.63 g/mol
Molecular Formula C7H4ClNO3S
Exact Mass 216.960042 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMu7xjoF4UH
Name 4-(Chlorosulfonyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 317438
CAS Registry Number 6752-38-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO3S
InChI InChI=1S/C7H4ClNO3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H
InChIKey PUXGCFRABSKGED-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Isocyanatobenzenesulfonyl chloride
Wiley ID SIAL_13CNMR_006315