| SpectraBase Compound ID | B3aCCW24TmC |
|---|---|
| InChI | InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H |
| InChIKey | LSOTZYUVGZKSHR-UHFFFAOYSA-N |
| Mol Weight | 208.22 g/mol |
| Molecular Formula | C14H8O2 |
| Exact Mass | 208.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JrcqatNN1pW |
|---|---|
| Name | 1,4-Anthracenedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.052429496 u |
| Formula | C14H8O2 |
| InChI | InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H |
| InChIKey | LSOTZYUVGZKSHR-UHFFFAOYSA-N |
| Molecular Weight | 208.216 g/mol |
| SMILES | C=12C=CC=CC1C=C1C(C=CC(C1=C2)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969954 |