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2-Pyridineacetonitrile, .alpha.-(4-methoxyphenyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Pyridineacetonitrile, .alpha.-(4-methoxyphenyl)-
SpectraBase Compound ID 635R6jWjCOi
InChI InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3
InChIKey QDMAFCQMTITPDU-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C14H12N2O
Exact Mass 224.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LL9Ycrep4tR
Name 2-Pyridineacetonitrile, .alpha.-(4-methoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.094963013 u
Formula C14H12N2O
InChI InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3
InChIKey QDMAFCQMTITPDU-UHFFFAOYSA-N
Molecular Weight 224.263 g/mol
SMILES C(#N)C(C1=NC=CC=C1)C1=CC=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833954