| SpectraBase Compound ID | BhpUmkmnCNj |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-5-7-8-12(6-2)10-15-13(14)9-11(3)4/h9,12H,5-8,10H2,1-4H3 |
| InChIKey | NSVANSSPRLTRGK-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oMGME7wHTA |
|---|---|
| Name | 2-Butenoic acid, 3-methyl-, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-5-7-8-12(6-2)10-15-13(14)9-11(3)4/h9,12H,5-8,10H2,1-4H3 |
| InChIKey | NSVANSSPRLTRGK-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | CCC(CCCC)COC(=O)C=C(C)C |