| SpectraBase Compound ID | gGarNllkJr |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-6(2)10-8(4)5-7(3)9/h5-6H,1-4H3/b8-5+ |
| InChIKey | GHDUNCWYKYHSHJ-VMPITWQZSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9upHc0M4OQT |
|---|---|
| Name | 3-Penten-2-one, 4-(1-methylethoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-6(2)10-8(4)5-7(3)9/h5-6H,1-4H3/b8-5+ |
| InChIKey | GHDUNCWYKYHSHJ-VMPITWQZSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | CC(\C=C/(OC(C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.940238 |