SpectraBase Spectrum ID |
IYQFHCySNIz |
Name |
Benzonitrile, 3-(4-ethoxybenzylidenamino)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.110613078 u |
Formula |
C16H14N2O |
InChI |
InChI=1S/C16H14N2O/c1-2-19-16-8-6-13(7-9-16)12-18-15-5-3-4-14(10-15)11-17/h3-10,12H,2H2,1H3/b18-12+ |
InChIKey |
YASXJJMSHJKBFZ-LDADJPATSA-N |
Molecular Weight |
250.301 g/mol |
SMILES |
C1(\N=C\C2=CC=C(OCC)C=C2)=CC=CC(=C1)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879761 |