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4-(Chloromethyl)phenyl isocyanate

View entire compound with spectra: 2 NMR, and 1 FTIR

4-(Chloromethyl)phenyl isocyanate
SpectraBase Compound ID FT6BxGZIDql
InChI InChI=1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChIKey OBYMZHLTKVXPQF-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 BREGxg78TMg
Name 4-(Chloromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375047
CAS Registry Number 29173-65-7
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/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChIKey OBYMZHLTKVXPQF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008067