| SpectraBase Compound ID | 9XkNnfSR4rj |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h2,7H,1,3-6H2/t7-/m0/s1 |
| InChIKey | SPYPESQMARESMP-ZETCQYMHSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7c34Xp3Aj3 |
|---|---|
| Name | 6-Allyltetrahydropyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h2,7H,1,3-6H2/t7-/m0/s1 |
| InChIKey | SPYPESQMARESMP-ZETCQYMHSA-N |
| SMILES | C1(O[C@](CCC1)(CC=C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981506 |