| SpectraBase Compound ID | 6Qtl9uIi0SY |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-5-9-12(10-6-2)15-13(14)11(7-3)8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BIGGXOMPYVEAQL-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYYHhsPPGQn |
|---|---|
| Name | 2-Ethylbutyric acid, hept-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-5-9-12(10-6-2)15-13(14)11(7-3)8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BIGGXOMPYVEAQL-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | CCCC(OC(=O)C(CC)CC)CCC |