| SpectraBase Spectrum ID |
5DITTsDWJtA |
| Name |
Trans-8,9-bis(benzoyloxy)-8,9-dihydrobenzo[K]fluoranthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.151809184 u |
| Formula |
C34H22O4 |
| InChI |
InChI=1S/C34H22O4/c35-33(22-9-3-1-4-10-22)37-30-18-17-24-19-28-25-15-7-13-21-14-8-16-26(31(21)25)29(28)20-27(24)32(30)38-34(36)23-11-5-2-6-12-23/h1-20,30,32H/t30-,32-/m0/s1 |
| InChIKey |
BNFDVNSOKPVTLJ-CDZUIXILSA-N |
| Molecular Weight |
494.546 g/mol |
| SMILES |
C=12C(C3=CC=CC=4C3=C2C=CC4)=CC2=C(C1)[C@](OC(=O)C=1C=CC=CC1)([C@@](OC(=O)C1=CC=CC=C1)(C=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864999 |
![trans-8,9-Bis(benzoyloxy)-8,9-dihydrobenzo[k]fluoranthene](/api/spectrum/5DITTsDWJtA/structure.png?h=300&w=458 "trans-8,9-Bis(benzoyloxy)-8,9-dihydrobenzo[k]fluoranthene")
