| SpectraBase Compound ID | FOK3FlDUOeg |
|---|---|
| InChI | InChI=1S/C6H6O3/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3 |
| InChIKey | JJPSEHGCDTWSGN-UHFFFAOYSA-N |
| Mol Weight | 126.11 g/mol |
| Molecular Formula | C6H6O3 |
| Exact Mass | 126.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | lJ1C6CQsTL |
|---|---|
| Name | 4-Methoxy-2-pyranone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.031694050 u |
| Formula | C6H6O3 |
| InChI | InChI=1S/C6H6O3/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3 |
| InChIKey | JJPSEHGCDTWSGN-UHFFFAOYSA-N |
| Molecular Weight | 126.111 g/mol |
| SMILES | C1(C=C(C=CO1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932445 |