| SpectraBase Spectrum ID |
DTC4QgA6R8F |
| Name |
6-(Dicyanomethylene)cyclohepta[A]phenalen-12(6H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.079312949 u |
| Formula |
C21H10N2O |
| InChI |
InChI=1S/C21H10N2O/c22-11-15(12-23)16-9-8-13-5-3-6-17-20(13)18(16)10-14-4-1-2-7-19(24)21(14)17/h1-10H |
| InChIKey |
GJFYTWISWMKQHK-UHFFFAOYSA-N |
| Molecular Weight |
306.324 g/mol |
| SMILES |
C1=2C(=C(C#N)C#N)C=CC=3C2C(C=CC3)=C2C(=C1)C=CC=CC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949255 |
![6-(Dicyanomethylene)cyclohepta[a]phenalen-12(6H)-one](/api/spectrum/DTC4QgA6R8F/structure.png?h=300&w=458 "6-(Dicyanomethylene)cyclohepta[a]phenalen-12(6H)-one")
