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3,3,3-Tris(4-chlorophenyl)propionitrile

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

3,3,3-Tris(4-chlorophenyl)propionitrile
SpectraBase Compound ID Ct4U3syCZlR
InChI InChI=1S/C21H14Cl3N/c22-18-7-1-15(2-8-18)21(13-14-25,16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-12H,13H2
InChIKey SGXWKWVVMYKJNN-UHFFFAOYSA-N
Mol Weight 386.71 g/mol
Molecular Formula C21H14Cl3N
Exact Mass 385.019183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DB5B5sJwEQ
Name 3,3,3-Tris(4-chlorophenyl)propionitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 275204
CAS Registry Number 2172-51-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14Cl3N
InChI InChI=1S/C21H14Cl3N/c22-18-7-1-15(2-8-18)21(13-14-25,16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-12H,13H2
InChIKey SGXWKWVVMYKJNN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_004998