| SpectraBase Compound ID | AYpUOqov7M0 |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h5,7,9H,3H2,1-2,4H3 |
| InChIKey | GTFGWLIGRMYDJX-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wRGrd8ZVhv |
|---|---|
| Name | Pentanoic acid, 3-hydroxy-4-methyl-2-methylene-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h5,7,9H,3H2,1-2,4H3 |
| InChIKey | GTFGWLIGRMYDJX-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | OC(C(=C)C(OC)=O)C(C)C |