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1-Isothiocyanato-4-nitrobenzene

View entire compound with spectra: 7 NMR, 3 FTIR, 1 UV-Vis, and 2 MS (GC)

1-Isothiocyanato-4-nitrobenzene
SpectraBase Compound ID JOq1CcMGTHv
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChIKey NXHSSIGRWJENBH-UHFFFAOYSA-N
Mol Weight 180.18 g/mol
Molecular Formula C7H4N2O2S
Exact Mass 179.999349 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID cini5MFtEV
Name 4-Nitrophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 283541
CAS Registry Number 2131-61-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O2S
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChIKey NXHSSIGRWJENBH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005308