| SpectraBase Compound ID | JCwOudIVLBk |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-7-4-5-9(3,8(2)10)11-6-7/h6H,4-5H2,1-3H3 |
| InChIKey | MBLDUUWATVJGCV-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JVhYRpuY3Q1 |
|---|---|
| Name | Ethanone, 1-(3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-7-4-5-9(3,8(2)10)11-6-7/h6H,4-5H2,1-3H3 |
| InChIKey | MBLDUUWATVJGCV-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1CC(OC=C1C)(C(C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.96815 |