| SpectraBase Spectrum ID |
JoCAsVoqks0 |
| Name |
2-Formyl-5,6,7,12,13,14-hexahydro-5,14 : 7,12-bis(o-benzeno)pentacene-6,13-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.141244501 u |
| Formula |
C35H20O3 |
| InChI |
InChI=1S/C35H20O3/c36-16-17-13-14-24-25(15-17)29-23-12-6-5-11-22(23)28(24)32-33(29)35(38)31-27-20-9-3-1-7-18(20)26(30(31)34(32)37)19-8-2-4-10-21(19)27/h1-16,26-29H |
| InChIKey |
ZAURGLCZTBFOBZ-UHFFFAOYSA-N |
| Molecular Weight |
488.542 g/mol |
| SMILES |
C=1C(=CC2=C(C1)C1C3=C(C2C=2C1=CC=CC2)C(C1=C(C3=O)C2C=3C(C1C=1C2=CC=CC1)=CC=CC3)=O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905825 |
