| SpectraBase Compound ID | 1rqoNh0yfWC |
|---|---|
| InChI | InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h2,4H,1,3H2 |
| InChIKey | VEFDLKXOSOFUIN-UHFFFAOYSA-N |
| Mol Weight | 98.1 g/mol |
| Molecular Formula | C5H6O2 |
| Exact Mass | 98.036779 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8UpytBiGJ43 |
|---|---|
| Name | 2H-Pyran-2-one, 3,4-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.036779431 u |
| Formula | C5H6O2 |
| InChI | InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h2,4H,1,3H2 |
| InChIKey | VEFDLKXOSOFUIN-UHFFFAOYSA-N |
| Molecular Weight | 98.101 g/mol |
| SMILES | C1(OC=CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988021 |