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4-Benzyloxy-3-methoxyphenylacetonitrile

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

4-Benzyloxy-3-methoxyphenylacetonitrile
SpectraBase Compound ID CjFIj0nGl0K
InChI InChI=1S/C16H15NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3
InChIKey KSOYPRFHKIOHMY-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C16H15NO2
Exact Mass 253.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LCr4fdxa6bp
Name 4-Benzyloxy-3-methoxyphenylacetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.110278725 u
Formula C16H15NO2
InChI InChI=1S/C16H15NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3
InChIKey KSOYPRFHKIOHMY-UHFFFAOYSA-N
Molecular Weight 253.301 g/mol
SMILES C1(OCC2=CC=CC=C2)=CC=C(C=C1OC)CC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964046