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4-Methyl-2-nitrophenyl isothiocyanate

View entire compound with spectra: 2 NMR

4-Methyl-2-nitrophenyl isothiocyanate
SpectraBase Compound ID JTPbGafNtjJ
InChI InChI=1S/C8H6N2O2S/c1-6-2-3-7(9-5-13)8(4-6)10(11)12/h2-4H,1H3
InChIKey CUQUTWSUXWDJKF-UHFFFAOYSA-N
Mol Weight 194.21 g/mol
Molecular Formula C8H6N2O2S
Exact Mass 194.014999 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LW6MCzhOo61
Name 4-Methyl-2-nitrophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 474924
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2S
InChI InChI=1S/C8H6N2O2S/c1-6-2-3-7(9-5-13)8(4-6)10(11)12/h2-4H,1H3
InChIKey CUQUTWSUXWDJKF-UHFFFAOYSA-N
Molecular Weight 194.208 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014767