| SpectraBase Spectrum ID |
JmeaUPE0kN7 |
| Name |
Trans-1,2,2A,3,4,10C-hexahydrodibenzo[C,G]phenanthrene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.115029753 u |
| Formula |
C22H16O2 |
| InChI |
InChI=1S/C22H16O2/c23-19-11-14-12-20(24)18-10-9-13-5-1-2-6-15(13)22(18)21(14)17-8-4-3-7-16(17)19/h1-10,14,21H,11-12H2/t14-,21-/m0/s1 |
| InChIKey |
BVCNQGNVWFILRI-QKKBWIMNSA-N |
| Molecular Weight |
312.368 g/mol |
| SMILES |
[C@]12(C3=C(C=CC=4C3=CC=CC4)C(C[C@@]2(CC(=O)C=2C1=CC=CC2)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807301 |
![Trans-1,2,2A,3,4,10C-hexahydrodibenzo[C,G]phenanthrene-1,4-dione](/api/spectrum/JmeaUPE0kN7/structure.png?h=300&w=458 "Trans-1,2,2A,3,4,10C-hexahydrodibenzo[C,G]phenanthrene-1,4-dione")
