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Isothiocyanic acid, m-chlorophenyl ester

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

Isothiocyanic acid, m-chlorophenyl ester
SpectraBase Compound ID 5Qw4pHmdCYP
InChI InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey WGXCKFMVBAOIFH-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 JEYelFDUIye
Name 3-Chlorophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 253766
CAS Registry Number 2392-68-9
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNS
InChI 1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey WGXCKFMVBAOIFH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004411