| SpectraBase Compound ID | GtEk8AJYlun |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-9(7-6-8-10(13)15-5)11(14)16-12(2,3)4/h1,6-8H2,2-5H3 |
| InChIKey | MJEJLALJUHZJNF-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AI8y2vmPhe |
|---|---|
| Name | 1-Tert-butyl 6-methyl 2-methylenehexanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-9(7-6-8-10(13)15-5)11(14)16-12(2,3)4/h1,6-8H2,2-5H3 |
| InChIKey | MJEJLALJUHZJNF-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(=O)(OC(C)(C)C)C(=C)CCCC(=O)OC |