| SpectraBase Compound ID | EqM8awZWxGx |
|---|---|
| InChI | InChI=1S/C12H24O4/c1-3-4-5-6-7-12(13)16-11-10-15-9-8-14-2/h3-11H2,1-2H3 |
| InChIKey | KILYNSIIAAPOHO-UHFFFAOYSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C12H24O4 |
| Exact Mass | 232.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYb6L5fgb1g |
|---|---|
| Name | 2-(2-Methoxyethoxy)ethyl heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.167459249 u |
| Formula | C12H24O4 |
| InChI | InChI=1S/C12H24O4/c1-3-4-5-6-7-12(13)16-11-10-15-9-8-14-2/h3-11H2,1-2H3 |
| InChIKey | KILYNSIIAAPOHO-UHFFFAOYSA-N |
| Molecular Weight | 232.320 g/mol |
| SMILES | C(OCCOC(=O)CCCCCC)COC |