| SpectraBase Compound ID | 8wAgESphbRk |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-4-6-8-11-15-23(18-21-28-3)19-22-30-25(27)17-13-10-12-16-24(26)29-20-14-9-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | CPFCIGGNUMNCCR-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZ7kGbA4RGC |
|---|---|
| Name | Pimelic acid, hexyl 3-(2-methoxyethyl)nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-4-6-8-11-15-23(18-21-28-3)19-22-30-25(27)17-13-10-12-16-24(26)29-20-14-9-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | CPFCIGGNUMNCCR-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCCCCC)=O |