| SpectraBase Spectrum ID |
9wpkAX1xizA |
| Name |
3,3,4,4-Tetracyano-5,6-diphenyl-2-(p-methoxyphenylimino)-2,3,4,5-tetrahydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.154209223 u |
| Formula |
C28H18N6O |
| InChI |
InChI=1S/C28H18N6O/c1-35-23-14-12-22(13-15-23)33-26-28(18-31,19-32)27(16-29,17-30)24(20-8-4-2-5-9-20)25(34-26)21-10-6-3-7-11-21/h2-15,24H,1H3/b33-26- |
| InChIKey |
OVYJDAMVNSYESK-MKFPQRGTSA-N |
| Molecular Weight |
454.493 g/mol |
| SMILES |
C1(C(C(C=2C=CC=CC2)C(=N\C1=N\C=1C=CC(=CC1)OC)C1=CC=CC=C1)(C#N)C#N)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860745 |
