| SpectraBase Compound ID | v9VHc2MUGI |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-10(7-14-10)5-3-4-8(11)6-9(12)13-2/h3-7H2,1-2H3 |
| InChIKey | XNNMMSBQNPFNTO-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yPVbTqI9NJ |
|---|---|
| Name | Oxiranehexanoic acid, 2-methyl-.beta.-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-10(7-14-10)5-3-4-8(11)6-9(12)13-2/h3-7H2,1-2H3 |
| InChIKey | XNNMMSBQNPFNTO-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C1(OC1)(CCCC(CC(=O)OC)=O)C |