| SpectraBase Compound ID | BLe6PXgUykJ |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-8(15-2)6-10-9(4-5-11(10)13)7-12(14)16-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | DQMHOUTXXIPPSA-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eAo6LdMbtq |
|---|---|
| Name | Methyl-2-(2'-methoxypropyl)-3-oxocyclopentane-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-8(15-2)6-10-9(4-5-11(10)13)7-12(14)16-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | DQMHOUTXXIPPSA-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C1(C(CC(=O)OC)CCC1=O)CC(OC)C |