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isothiocyanic acid, p-chlorophenyl ester

View entire compound with spectra: 7 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)

isothiocyanic acid, p-chlorophenyl ester
SpectraBase Compound ID Iac1vAq4TvV
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N
Mol Weight 169.63 g/mol
Molecular Formula C7H4ClNS
Exact Mass 168.975298 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I96tqOt2kMD
Name 4-Chlorophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 253782
CAS Registry Number 2131-55-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNS
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004412