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4-[2-(4-Methoxyphenyl)ethyl]benzonitrile

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

4-[2-(4-Methoxyphenyl)ethyl]benzonitrile
SpectraBase Compound ID EUnEPB7PeZX
InChI InChI=1S/C16H15NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,2-3H2,1H3
InChIKey OVTRPPXPLPHVBG-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C16H15NO
Exact Mass 237.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2WLbeIEOLLc
Name 4-[2-(4-Methoxyphenyl)ethyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.115364106 u
Formula C16H15NO
InChI InChI=1S/C16H15NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,2-3H2,1H3
InChIKey OVTRPPXPLPHVBG-UHFFFAOYSA-N
Molecular Weight 237.302 g/mol
SMILES C(#N)C1=CC=C(C=C1)CCC=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883759