| SpectraBase Compound ID | 6ELGQz3Bb |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-4-6-8-10-15-21-30-25(27)17-13-11-14-18-26(28)31-23-20-24(19-22-29-3)16-12-9-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | BLIIUEQHBBZSAM-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C26H50O5 |
| Exact Mass | 442.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ERn0YfJG9J |
|---|---|
| Name | Pimelic acid, heptyl 3-(2-methoxyethyl)nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.365824705 u |
| Formula | C26H50O5 |
| InChI | InChI=1S/C26H50O5/c1-4-6-8-10-15-21-30-25(27)17-13-11-14-18-26(28)31-23-20-24(19-22-29-3)16-12-9-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | BLIIUEQHBBZSAM-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCCCCCC)=O |