| SpectraBase Compound ID | 78YAIVcwjcQ |
|---|---|
| InChI | InChI=1S/C12H8O3/c1-7(13)10-6-11(14)8-4-2-3-5-9(8)12(10)15/h2-6H,1H3 |
| InChIKey | LKDQLNOZQAMIOG-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C12H8O3 |
| Exact Mass | 200.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXQbhBe2JUG |
|---|---|
| Name | 1,4-Naphthalenedione, 2-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.047344115 u |
| Formula | C12H8O3 |
| InChI | InChI=1S/C12H8O3/c1-7(13)10-6-11(14)8-4-2-3-5-9(8)12(10)15/h2-6H,1H3 |
| InChIKey | LKDQLNOZQAMIOG-UHFFFAOYSA-N |
| Molecular Weight | 200.193 g/mol |
| SMILES | C1(=O)C2=C(C(C=C1C(C)=O)=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888069 |