| SpectraBase Compound ID | BTtpiLuH1x3 |
|---|---|
| InChI | InChI=1S/C20H38O3/c1-3-4-5-10-13-17-16-18(17)14-11-8-6-7-9-12-15-19(21)20(22)23-2/h17-19,21H,3-16H2,1-2H3 |
| InChIKey | VZVGDXVNSUVPGK-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C20H38O3 |
| Exact Mass | 326.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UP6hmmmoSJ |
|---|---|
| Name | Cyclopropanedecanoic acid, 2-hexyl-.alpha.-hydroxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.282095081 u |
| Formula | C20H38O3 |
| InChI | InChI=1S/C20H38O3/c1-3-4-5-10-13-17-16-18(17)14-11-8-6-7-9-12-15-19(21)20(22)23-2/h17-19,21H,3-16H2,1-2H3 |
| InChIKey | VZVGDXVNSUVPGK-UHFFFAOYSA-N |
| Molecular Weight | 326.521 g/mol |
| SMILES | C(CC1C(CCCCCC)C1)CCCCCCC(C(OC)=O)O |