| SpectraBase Spectrum ID |
71BAsda2xAW |
| Name |
2-Amino-4-(p-chlorophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.066889717 u |
| Formula |
C19H12ClN3O |
| InChI |
InChI=1S/C19H12ClN3O/c20-14-8-6-12(7-9-14)17-15(10-21)18(13-4-2-1-3-5-13)24-19(23)16(17)11-22/h1-9,17H,23H2 |
| InChIKey |
TZVUEMOIMHOPOS-UHFFFAOYSA-N |
| Molecular Weight |
333.778 g/mol |
| SMILES |
NC1=C(C(C(=C(O1)C=1C=CC=CC1)C#N)C=1C=CC(=CC1)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.953473 |