| SpectraBase Spectrum ID |
9I8Cm4P17Q3 |
| Name |
5,6-Diphenyl-1,4-dipropyl-bicyclo[2.2.2]octa-5,7-diene-2,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.193280075 u |
| Formula |
C26H26O2 |
| InChI |
InChI=1S/C26H26O2/c1-3-15-25-17-18-26(16-4-2,24(28)23(25)27)22(20-13-9-6-10-14-20)21(25)19-11-7-5-8-12-19/h5-14,17-18H,3-4,15-16H2,1-2H3 |
| InChIKey |
QRFRFWLJXGOCAW-UHFFFAOYSA-N |
| Molecular Weight |
370.492 g/mol |
| SMILES |
C12(C(=C(C3=CC=CC=C3)C(C=C1)(CCC)C(C2=O)=O)C=1C=CC=CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935105 |
![5,6-Diphenyl-1,4-dipropyl-bicyclo[2.2.2]octa-5,7-diene-2,3-dione](/api/spectrum/9I8Cm4P17Q3/structure.png?h=300&w=458 "5,6-Diphenyl-1,4-dipropyl-bicyclo[2.2.2]octa-5,7-diene-2,3-dione")
