| SpectraBase Compound ID | LMECcLS13Rb |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-6-8(4)10(11)12-9(5)7(2)3/h7-9H,6H2,1-5H3 |
| InChIKey | AVTPHFBHRSGVRP-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT4HhdL2lqz |
|---|---|
| Name | Butanoic acid, 2-methyl-, 1,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-6-8(4)10(11)12-9(5)7(2)3/h7-9H,6H2,1-5H3 |
| InChIKey | AVTPHFBHRSGVRP-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CC(C)C(C)OC(C(CC)C)=O |