| SpectraBase Compound ID | 54sii7TwBLo |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-10(9-12(2,3)4)8-11(13)15-7-6-14-5/h10H,6-9H2,1-5H3 |
| InChIKey | XXBNJKDXVHKMTA-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnJJikEL1mm |
|---|---|
| Name | 2-Methoxyethyl 3,5,5-trimethylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-10(9-12(2,3)4)8-11(13)15-7-6-14-5/h10H,6-9H2,1-5H3 |
| InChIKey | XXBNJKDXVHKMTA-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | COCCOC(CC(CC(C)(C)C)C)=O |