| SpectraBase Compound ID | 8y1MJxbREBj |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-4-6-7-9-13-19(14-12-18-24-3)26-21(23)16-11-8-10-15-20(22)25-17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | FPVZATPSKQBPAU-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0FN63D0L1y |
|---|---|
| Name | Pimelic acid, 1-methoxydec-4-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-4-6-7-9-13-19(14-12-18-24-3)26-21(23)16-11-8-10-15-20(22)25-17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | FPVZATPSKQBPAU-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(OC(CCCCCC)CCCOC)(=O)CCCCCC(OCCC)=O |