| SpectraBase Compound ID | 7V627kYzpL7 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3 |
| InChIKey | PUJGGPCGKBGBAD-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 | 1nNb5a2JeHH |
|---|---|
| Name | Ethyl 4,4-dimethylpentanoate |
| 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/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3 |
| InChIKey | PUJGGPCGKBGBAD-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(=O)(CCC(C)(C)C)OCC |