| SpectraBase Compound ID | 47f0V6aBVkq |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3 |
| InChIKey | JFVQYQDTHWLYHG-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7mSKxByYgBQ |
|---|---|
| Name | 2H-Pyran-2-one, 6-ethyltetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3 |
| InChIKey | JFVQYQDTHWLYHG-UHFFFAOYSA-N |
| SMILES | CCC1OC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968203 |