| SpectraBase Compound ID | GPThs6STl52 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-6-9(4,5)8(10)11-7(2)3/h7H,6H2,1-5H3 |
| InChIKey | BSQKFTUIWLMBMZ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNvHQII0R7Q |
|---|---|
| Name | 2,2-Dimethylbutanoic acid propan-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-6-9(4,5)8(10)11-7(2)3/h7H,6H2,1-5H3 |
| InChIKey | BSQKFTUIWLMBMZ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(C(CC)(C)C)(OC(C)C)=O |