| SpectraBase Compound ID | Jb3edIeaUvC |
|---|---|
| InChI | InChI=1S/C24H46O5/c1-4-6-8-10-14-22(17-20-27-3)18-21-29-24(26)16-12-9-11-15-23(25)28-19-13-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | DWTSAFQAYIOEFB-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H46O5 |
| Exact Mass | 414.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uCg5Xu6cl1 |
|---|---|
| Name | Pimelic acid, 3-(2-methoxyethyl)nonyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.334524576 u |
| Formula | C24H46O5 |
| InChI | InChI=1S/C24H46O5/c1-4-6-8-10-14-22(17-20-27-3)18-21-29-24(26)16-12-9-11-15-23(25)28-19-13-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | DWTSAFQAYIOEFB-UHFFFAOYSA-N |
| Molecular Weight | 414.627 g/mol |
| SMILES | C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCCCC)=O |