| SpectraBase Compound ID | 9F7TWBpyHJR |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-6-9(4)10(5)14-12(13)11(7-2)8-3/h9-11H,6-8H2,1-5H3 |
| InChIKey | FIFBFJZXKMVNFX-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KM5MCtRcgXr |
|---|---|
| Name | 2-Ethylbutyric acid, 3-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-6-9(4)10(5)14-12(13)11(7-2)8-3/h9-11H,6-8H2,1-5H3 |
| InChIKey | FIFBFJZXKMVNFX-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CCC(C)C(OC(=O)C(CC)CC)C |