| SpectraBase Spectrum ID |
5BmHxeUvDmp |
| Name |
1,10-Dimethyl-4,7-bis(phenylcarbonyl)-1,10-dihydro-4,7-phenanthroline-3,8-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.174275962 u |
| Formula |
C30H22N4O2 |
| InChI |
InChI=1S/C30H22N4O2/c1-19-15-23(17-31)33(29(35)21-9-5-3-6-10-21)25-13-14-26-28(27(19)25)20(2)16-24(18-32)34(26)30(36)22-11-7-4-8-12-22/h3-16,19-20H,1-2H3 |
| InChIKey |
AKBWVIVSZZDEFU-UHFFFAOYSA-N |
| Molecular Weight |
470.532 g/mol |
| SMILES |
C=12N(C(=CC(C2=C2C(C=C(N(C2=CC1)C(=O)C1=CC=CC=C1)C#N)C)C)C#N)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836578 |
