| SpectraBase Compound ID | 7sJXJfLFmZe |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-4-6-7-9-13-18(14-12-17-23-3)25-20(22)16-11-8-10-15-19(21)24-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | KAWCGRHDHRIDHH-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 | CopF0irfcmC |
|---|---|
| Name | Pimelic acid, ethyl 1-methoxydec-4-yl 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/c1-4-6-7-9-13-18(14-12-17-23-3)25-20(22)16-11-8-10-15-19(21)24-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | KAWCGRHDHRIDHH-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(OC(CCCCCC)CCCOC)(=O)CCCCCC(OCC)=O |