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4-Isocyanatobenzoyl chloride

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

4-Isocyanatobenzoyl chloride
SpectraBase Compound ID JgKKDprlS1o
InChI InChI=1S/C8H4ClNO2/c9-8(12)6-1-3-7(4-2-6)10-5-11/h1-4H
InChIKey JZXYEMZTQVSTJC-UHFFFAOYSA-N
Mol Weight 181.58 g/mol
Molecular Formula C8H4ClNO2
Exact Mass 180.993056 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYsGZifqDBi
Name 4-Isocyanatobenzoyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375039
CAS Registry Number 3729-21-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4ClNO2
InChI InChI=1S/C8H4ClNO2/c9-8(12)6-1-3-7(4-2-6)10-5-11/h1-4H
InChIKey JZXYEMZTQVSTJC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008066