| SpectraBase Compound ID | Je5pjOaVipI |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-15(2)14-17(4)24-19(21)10-8-7-9-11-20(22)25-18(5)16(3)12-13-23-6/h15-18H,7-14H2,1-6H3 |
| InChIKey | HMGRUGQLTQFHOZ-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmpF3VU5WoQ |
|---|---|
| Name | Pimelic acid, 5-methoxy-3-methylpent-2-yl 4-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-15(2)14-17(4)24-19(21)10-8-7-9-11-20(22)25-18(5)16(3)12-13-23-6/h15-18H,7-14H2,1-6H3 |
| InChIKey | HMGRUGQLTQFHOZ-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OC(CC(C)C)C)=O |