| SpectraBase Compound ID | KzgQ46odJ2J |
|---|---|
| InChI | InChI=1S/C12H18O6/c1-9(8-18-10(2)13)5-4-6-17-12(15)7-11(14)16-3/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey | LQTCJCJSVAZMNS-WEVVVXLNSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C12H18O6 |
| Exact Mass | 258.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZdEpYemEln |
|---|---|
| Name | 1-Acetoxy-5-(3'-methoxy-3'-oxopropionyloxy)-2-methyl-2-pentene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.110338294 u |
| Formula | C12H18O6 |
| InChI | InChI=1S/C12H18O6/c1-9(8-18-10(2)13)5-4-6-17-12(15)7-11(14)16-3/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey | LQTCJCJSVAZMNS-WEVVVXLNSA-N |
| Molecular Weight | 258.270 g/mol |
| SMILES | C(C(=O)OC)C(=O)OCC\C=C\(COC(=O)C)C |