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1-Chloromethyl-2,4-diisocyanatobenzene

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

1-Chloromethyl-2,4-diisocyanatobenzene
SpectraBase Compound ID 2udql4wF89i
InChI InChI=1S/C9H5ClN2O2/c10-4-7-1-2-8(11-5-13)3-9(7)12-6-14/h1-3H,4H2
InChIKey LCJLEYPRGLFMGM-UHFFFAOYSA-N
Mol Weight 208.6 g/mol
Molecular Formula C9H5ClN2O2
Exact Mass 208.003955 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HFJpAIaRgMC
Name 1-Chloromethyl-2,4-diisocyanatobenzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375055
CAS Registry Number 51979-57-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5ClN2O2
InChI InChI=1S/C9H5ClN2O2/c10-4-7-1-2-8(11-5-13)3-9(7)12-6-14/h1-3H,4H2
InChIKey LCJLEYPRGLFMGM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008068