| SpectraBase Spectrum ID |
CqhWZuXScQt |
| Name |
Dicyclopenta[ef,kl]heptalene-1,2-dicarboxylic acid, 10B,10C-dihydro-10B,10C-dimethyl-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.104858991 u |
| Formula |
C20H16O4 |
| InChI |
InChI=1S/C20H16O4/c1-19-11-5-3-7-13-15(17(21)22)16(18(23)24)14(20(13,19)2)8-4-6-12(19)10-9-11/h3-10H,1-2H3,(H,21,22)(H,23,24) |
| InChIKey |
CCLDPZKUHDKVJW-UHFFFAOYSA-N |
| Molecular Weight |
320.344 g/mol |
| SMILES |
C12(C=3C(C(=O)O)=C(C2=CC=CC=2C1(C(=CC2)C=CC3)C)C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822789 |
![Dicyclopenta[ef,kl]heptalene-1,2-dicarboxylic acid, 10b,10c-dihydro-10b,10c-dimethyl-, trans-](/api/spectrum/CqhWZuXScQt/structure.png?h=300&w=458 "Dicyclopenta[ef,kl]heptalene-1,2-dicarboxylic acid, 10b,10c-dihydro-10b,10c-dimethyl-, trans-")
