SpectraBase Spectrum ID |
IkYj06mjTSR |
Name |
3-Anilino-3-(2-but-2-oxyphenyl)propanenitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.173213335 u |
Formula |
C19H22N2O |
InChI |
InChI=1S/C19H22N2O/c1-3-15(2)22-19-12-8-7-11-17(19)18(13-14-20)21-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13H2,1-2H3 |
InChIKey |
OGWPJGMSTSGTBU-UHFFFAOYSA-N |
SMILES |
C(OC1=C(C=CC=C1)C(CC#N)NC1=CC=CC=C1)(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869128 |