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1-Isothiocyanato-4-nitrobenzene

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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 6xPqUZ1xLEz
Name 4-NITROPHENYLISOTHIOCYANAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author R.G.JONES,G.ALLEN
Literature Reference Citation ORG.MAGN.RES.,19,196(1982)
Literature Reference DOI 10.1002/mrc.1270190408
Molecular Weight 180.181 g/mol
Solvent CDCl3
Source File Reference UNIW2700