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3-Chloro-p-tolunitrile

View entire compound with spectra: 5 NMR, 5 FTIR, and 1 Raman

3-Chloro-p-tolunitrile
SpectraBase Compound ID 1XSO6oOB5Ly
InChI InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey INEMHABDFCKBID-UHFFFAOYSA-N
Mol Weight 151.6 g/mol
Molecular Formula C8H6ClN
Exact Mass 151.018877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GP90BGW0NQI
Name 3-Chloro-4-methylbenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 149705
CAS Registry Number 21423-81-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN
InChI InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey INEMHABDFCKBID-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Chloro-p-tolunitrile
Wiley ID SIAL_1HNMR_001463