| SpectraBase Compound ID | 39xEVoceDlB |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h6,10H,5H2,1-4H3/b7-6- |
| InChIKey | ZKGRQJZEDGYKRX-SREVYHEPSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2InQ5ktSMd9 |
|---|---|
| Name | Ethyl-3-hydroxy-4,4-dimethyl-2-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h6,10H,5H2,1-4H3/b7-6- |
| InChIKey | ZKGRQJZEDGYKRX-SREVYHEPSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(\C(O)=C\C(=O)OCC)(C)(C)C |