| SpectraBase Spectrum ID |
IkIjBv6HfOU |
| Name |
2,5-Diphenyl-1-pyrroline-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.115698459 u |
| Formula |
C17H14N2 |
| InChI |
InChI=1S/C17H14N2/c18-12-15-11-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14/h1-10,15,17H,11H2 |
| InChIKey |
WJQQITMUIRDYKK-UHFFFAOYSA-N |
| Molecular Weight |
246.313 g/mol |
| SMILES |
C1(N=C(CC1C#N)C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91283 |
