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3-Nitrophenyl isothiocyanate

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

3-Nitrophenyl isothiocyanate
SpectraBase Compound ID KAWpbgcXlTh
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey OEZXLKSZOAWNJU-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 EMqDttapv5e
Name 3-Nitrophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 487376
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)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey OEZXLKSZOAWNJU-UHFFFAOYSA-N
Molecular Weight 180.181 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014826