| SpectraBase Compound ID | FVEZ0e00Nj2 |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-7-9-11-13(6-3)16-14(15)12-10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | IMKAZTAYLVONBX-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | h1NNqlMeBK |
|---|---|
| Name | 3-Octyl hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-4-7-9-11-13(6-3)16-14(15)12-10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | IMKAZTAYLVONBX-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(CCCCC)(=O)OC(CC)CCCCC |