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2-Chloro-6-methylphenyl isocyanate

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

2-Chloro-6-methylphenyl isocyanate
SpectraBase Compound ID DxzyceEO7te
InChI InChI=1S/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
InChIKey FBTQQNYGMICJQZ-UHFFFAOYSA-N
Mol Weight 167.59 g/mol
Molecular Formula C8H6ClNO
Exact Mass 167.013792 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CBV0KeFexmI
Name 2-Chloro-6-methylphenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 445479
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO
InChI InChI=1S/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
InChIKey FBTQQNYGMICJQZ-UHFFFAOYSA-N
Molecular Weight 167.595 g/mol
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014505