| SpectraBase Compound ID | 3Yj2RHYfMDw |
|---|---|
| InChI | InChI=1S/C15H30O2/c1-4-6-8-9-11-12-14(3)17-15(16)13-10-7-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | MLYSJKAWIRSEQZ-UHFFFAOYSA-N |
| Mol Weight | 242.4 g/mol |
| Molecular Formula | C15H30O2 |
| Exact Mass | 242.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dPrvqXSBvf |
|---|---|
| Name | 1-Methyloctyl hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.224580204 u |
| Formula | C15H30O2 |
| InChI | InChI=1S/C15H30O2/c1-4-6-8-9-11-12-14(3)17-15(16)13-10-7-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | MLYSJKAWIRSEQZ-UHFFFAOYSA-N |
| Molecular Weight | 242.403 g/mol |
| SMILES | C(=O)(OC(CCCCCCC)C)CCCCC |