| SpectraBase Compound ID | 2coxxkAJNrx |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-12-9(11)7-6-8-10(2,3)4/h6,8H,5,7H2,1-4H3/b8-6+ |
| InChIKey | NHISWROUFMFVJD-SOFGYWHQSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMRTyg9qaqB |
|---|---|
| Name | (Z)-Ethyl 5,5-dimethyl-3-hexenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-5-12-9(11)7-6-8-10(2,3)4/h6,8H,5,7H2,1-4H3/b8-6+ |
| InChIKey | NHISWROUFMFVJD-SOFGYWHQSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(=O)(OCC)C\C=C\C(C)(C)C |