| SpectraBase Compound ID | 24kZAC4FGCW |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-9(6-7-15-10(2)13)8-11(14)16-12(3,4)5/h8H,6-7H2,1-5H3/b9-8+ |
| InChIKey | SAUNBBMSZWUXRI-CMDGGOBGSA-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 | BNLJ0jtWClg |
|---|---|
| Name | 2-Pentenoic acid, 5-(acetyloxy)-3-methyl-, 1,1-dimethylethyl ester |
| 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(6-7-15-10(2)13)8-11(14)16-12(3,4)5/h8H,6-7H2,1-5H3/b9-8+ |
| InChIKey | SAUNBBMSZWUXRI-CMDGGOBGSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CC(OCC\C(=C\C(OC(C)(C)C)=O)C)=O |