| SpectraBase Compound ID | BlaUlQGXSu5 |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-4-6-10-18(13-16-23-3)14-17-25-20(22)12-9-7-8-11-19(21)24-15-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | UGOSNAIIVKONPZ-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6qWoW9MWZuL |
|---|---|
| Name | Pimelic acid, 3-(2-methoxyethyl)heptyl propyl 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/c1-4-6-10-18(13-16-23-3)14-17-25-20(22)12-9-7-8-11-19(21)24-15-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | UGOSNAIIVKONPZ-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCC)=O |