| SpectraBase Compound ID | IdKqz5VhH35 |
|---|---|
| InChI | InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2 |
| InChIKey | VYTBDSUNRJYVHL-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 831FZfWOuyv |
|---|---|
| Name | 2,3-Dihydrojuglone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2 |
| InChIKey | VYTBDSUNRJYVHL-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C1(O)=CC=CC=2C(=O)CCC(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944236 |