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2-(Chloromethyl)phenyl isocyanate

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

2-(Chloromethyl)phenyl isocyanate
SpectraBase Compound ID 3NSaLjKAjwK
InChI InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2
InChIKey XTYOTPBIDRGAML-UHFFFAOYSA-N
Mol Weight 167.59 g/mol
Molecular Formula C8H6ClNO
Exact Mass 167.013792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FMPrt7NukIk
Name 2-(Chloromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 453242
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO
InChI InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2
InChIKey XTYOTPBIDRGAML-UHFFFAOYSA-N
Molecular Weight 167.595 g/mol
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_014465