| SpectraBase Compound ID | BK8WSOniJ4q |
|---|---|
| InChI | InChI=1S/C21H38O5/c1-3-4-5-9-14-19(22)18(21(23)24-2)13-8-6-7-11-16-25-20-15-10-12-17-26-20/h18,20H,3-17H2,1-2H3 |
| InChIKey | YCJYPVZRENVWGY-UHFFFAOYSA-N |
| Mol Weight | 370.5 g/mol |
| Molecular Formula | C21H38O5 |
| Exact Mass | 370.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pNRG232ffQ |
|---|---|
| Name | 2-(6'-Tetrahydropyranyloxyhexyl)-3-keto-1-nonanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.271924319 u |
| Formula | C21H38O5 |
| InChI | InChI=1S/C21H38O5/c1-3-4-5-9-14-19(22)18(21(23)24-2)13-8-6-7-11-16-25-20-15-10-12-17-26-20/h18,20H,3-17H2,1-2H3 |
| InChIKey | YCJYPVZRENVWGY-UHFFFAOYSA-N |
| Molecular Weight | 370.530 g/mol |
| SMILES | C(C(=O)OC)(C(=O)CCCCCC)CCCCCCOC1OCCCC1 |