| SpectraBase Compound ID | BWyRxOxR09I |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-8-9(11-8)6-4-5-7(2)10/h8-9H,3-6H2,1-2H3/t8-,9+/m0/s1 |
| InChIKey | ZTMRFIKDSHCFSW-DTWKUNHWSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwtPryXwRSD |
|---|---|
| Name | 2-Pentanone, 5-(3-ethyloxiranyl)-, cis-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-3-8-9(11-8)6-4-5-7(2)10/h8-9H,3-6H2,1-2H3/t8-,9+/m0/s1 |
| InChIKey | ZTMRFIKDSHCFSW-DTWKUNHWSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | [C@]1(O[C@]1(CC)[H])(CCCC(=O)C)[H] |