| SpectraBase Compound ID | 217mgx28k9S |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6- |
| InChIKey | QDVIEIMMEUCFMW-QXYPORFMSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FrLEOxMGC1M |
|---|---|
| Name | Hispolon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6- |
| InChIKey | QDVIEIMMEUCFMW-QXYPORFMSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C(=O)(C)\C=C\(O)\C=C\C1=CC(O)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968844 |