| SpectraBase Spectrum ID |
viApDk5mIL |
| Name |
(-)-2,2',3,3'-tetraethyl-8,8'-dihydroxy-7,7'-bi(phenanthrene-1,4-dione) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.204238680 u |
| Formula |
C36H30O6 |
| InChI |
InChI=1S/C36H30O6/c1-5-17-19(7-3)35(41)29-21-9-11-25(33(39)23(21)13-15-27(29)31(17)37)26-12-10-22-24(34(26)40)14-16-28-30(22)36(42)20(8-4)18(6-2)32(28)38/h9-16,39-40H,5-8H2,1-4H3 |
| InChIKey |
DFARYZKTXKCFLS-UHFFFAOYSA-N |
| Molecular Weight |
558.630 g/mol |
| SMILES |
C1(C(=C(C(C=2C=3C=CC(=C(C3C=CC12)O)C=1C=CC=2C=3C(C(=C(C(C3C=CC2C1O)=O)CC)CC)=O)=O)CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947185 |
