| SpectraBase Compound ID | HV62ncJ2Hmj |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-5-11-7(10)8(3,4)6(2)9/h5H2,1-4H3 |
| InChIKey | NVAHZHOCRQCUBY-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kxt0cCnRIn7 |
|---|---|
| Name | Butanoic acid, 2,2-dimethyl-3-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-5-11-7(10)8(3,4)6(2)9/h5H2,1-4H3 |
| InChIKey | NVAHZHOCRQCUBY-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | CC(C(C(OCC)=O)(C)C)=O |