| SpectraBase Spectrum ID |
ICwmP7lmGn8 |
| Name |
9-Isopropyl-4,7,12-trimethylbenzo[A]heptalene-2,3-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.178298716 u |
| Formula |
C24H22N2 |
| InChI |
InChI=1S/C24H22N2/c1-14(2)18-8-6-16(4)24-21(10-18)15(3)7-9-20-17(5)23(13-26)19(12-25)11-22(20)24/h6-11,14H,1-5H3 |
| InChIKey |
KDZKTMVERRNMQE-UHFFFAOYSA-N |
| Molecular Weight |
338.454 g/mol |
| SMILES |
C=12C(C=CC(=C3C=C(C=CC(=C23)C)C(C)C)C)=C(C(=C(C1)C#N)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837724 |
![9-Isopropyl-4,7,12-trimethylbenzo[a]heptalene-2,3-dicarbonitrile](/api/spectrum/ICwmP7lmGn8/structure.png?h=300&w=458 "9-Isopropyl-4,7,12-trimethylbenzo[a]heptalene-2,3-dicarbonitrile")
