| SpectraBase Compound ID | 68k8cfjA5ee |
|---|---|
| InChI | InChI=1S/C26H16O4/c1-9-10(2)24-18-6-14-13(5-17(18)23(9)29-24)21(27)15-7-19-20(8-16(15)22(14)28)26-12(4)11(3)25(19)30-26/h5-8,23-26H,1-4H2/t23-,24+,25+,26- |
| InChIKey | OQGOYLRTJBXSIM-FATVKVNYSA-N |
| Mol Weight | 392.41 g/mol |
| Molecular Formula | C26H16O4 |
| Exact Mass | 392.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5f8uXa4tnP |
|---|---|
| Name | 1,4:8,11-Diepoxypentacene-6,13-dione, 1,2,3,4,8,9,10,11-octahydro-2,3,9,10-tetrakis(methylene)-, (1.alpha.,4.alpha.,8.alpha.,11.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.104858991 u |
| Formula | C26H16O4 |
| InChI | InChI=1S/C26H16O4/c1-9-10(2)24-18-6-14-13(5-17(18)23(9)29-24)21(27)15-7-19-20(8-16(15)22(14)28)26-12(4)11(3)25(19)30-26/h5-8,23-26H,1-4H2/t23-,24+,25+,26- |
| InChIKey | OQGOYLRTJBXSIM-FATVKVNYSA-N |
| Molecular Weight | 392.410 g/mol |
| SMILES | [C@]12(C=3C(=CC4=C(C3)C(C=3C(=CC=5[C@]6(C(=C)C([C@@](C5C3)(O6)[H])=C)[H])C4=O)=O)[C@](O1)([H])C(C2=C)=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939306 |