| SpectraBase Spectrum ID |
6pVPCw8dUx7 |
| Name |
1-Phenanthrenecarbonitrile, 3,6-dihydroxy-4,5-di-2-pyridinyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.116426733 u |
| Formula |
C25H15N3O2 |
| InChI |
InChI=1S/C25H15N3O2/c26-14-16-13-21(30)25(19-6-2-4-12-28-19)23-17(16)9-7-15-8-10-20(29)24(22(15)23)18-5-1-3-11-27-18/h1-13,29-30H |
| InChIKey |
MVNIZQKEEGQGES-UHFFFAOYSA-N |
| Molecular Weight |
389.414 g/mol |
| SMILES |
C1(=NC=CC=C1)C1=C(C=CC=2C1=C1C(C3=CC=CC=N3)=C(O)C=C(C1=CC2)C#N)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866598 |
