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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7L2L7U16rZw
Name 4-Nitro-phenylisothiocyanate
CAS Registry Number 2131-61-5
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-60
Literature Reference R.G. Jones, G. Allen, Org. Magn. Resonance 19, 196 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3