| SpectraBase Compound ID | EXoE8W1eaes |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-9(2)11-6-5-10(3)7-12(11)18-13(16)14(4,17)8-15/h9-12,15,17H,5-8H2,1-4H3 |
| InChIKey | MXBRJUCSKQZLEF-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UlXm1JtHnP |
|---|---|
| Name | Menthol, (2,3-dihydroxy-2-methyl)propanate (ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-9(2)11-6-5-10(3)7-12(11)18-13(16)14(4,17)8-15/h9-12,15,17H,5-8H2,1-4H3 |
| InChIKey | MXBRJUCSKQZLEF-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C1C(C(CCC1C)C(C)C)OC(=O)C(O)(C)CO |