| SpectraBase Compound ID | FRf9H4Q55Z5 |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-5-7-8-9-10(12)13-11(3,4)6-2/h5-9H2,1-4H3 |
| InChIKey | AHCUHYGSYJHBFT-UHFFFAOYSA-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 | B89kyhUUhaX |
|---|---|
| Name | Hexanoic acid, 1,1-dimethylpropyl ester |
| 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/c1-5-7-8-9-10(12)13-11(3,4)6-2/h5-9H2,1-4H3 |
| InChIKey | AHCUHYGSYJHBFT-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CC(OC(CCCCC)=O)(CC)C |