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4-Chloro-4'-methoxybiphenyl-2-carbonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Chloro-4'-methoxybiphenyl-2-carbonitrile
SpectraBase Compound ID KOxmsDy1Mje
InChI InChI=1S/C14H10ClNO/c1-17-13-5-2-10(3-6-13)14-7-4-12(15)8-11(14)9-16/h2-8H,1H3
InChIKey MOIBYGFTZWPXKK-UHFFFAOYSA-N
Mol Weight 243.69 g/mol
Molecular Formula C14H10ClNO
Exact Mass 243.045092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E8jjxijnt7I
Name 4-Chloro-4'-methoxybiphenyl-2-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.045091645 u
Formula C14H10ClNO
InChI InChI=1S/C14H10ClNO/c1-17-13-5-2-10(3-6-13)14-7-4-12(15)8-11(14)9-16/h2-8H,1H3
InChIKey MOIBYGFTZWPXKK-UHFFFAOYSA-N
Molecular Weight 243.693 g/mol
SMILES C=1C(C#N)=C(C=CC1Cl)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84133