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4-Chloro-3-nitrobenzonitrile

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, and 5 MS (GC)

4-Chloro-3-nitrobenzonitrile
SpectraBase Compound ID KWx61bhnWbH
InChI InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey XBLPHYSLHRGMNW-UHFFFAOYSA-N
Mol Weight 182.57 g/mol
Molecular Formula C7H3ClN2O2
Exact Mass 181.988305 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJ7nJBgL6DV
Name 4-Chloro-3-nitrobenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 380059
CAS Registry Number 939-80-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClN2O2
InChI InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey XBLPHYSLHRGMNW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008242