| SpectraBase Compound ID | 9tSAUSYfuZ7 |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-8(2)7-9(3)10(12)13-11(4,5)6/h8-9H,7H2,1-6H3/t9-/m0/s1 |
| InChIKey | PJCVELDASPSMIA-VIFPVBQESA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRBxs6OSnTG |
|---|---|
| Name | Pentanoic acid, 2,4-dimethyl-, 1,1-dimethylethyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-8(2)7-9(3)10(12)13-11(4,5)6/h8-9H,7H2,1-6H3/t9-/m0/s1 |
| InChIKey | PJCVELDASPSMIA-VIFPVBQESA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(OC(C)(C)C)([C@](CC(C)C)(C)[H])=O |