| SpectraBase Compound ID | J788dFvLyYx |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-4-6-8-9-10-11-16-21-30-25(27)18-14-12-15-19-26(28)31-23-24(20-22-29-3)17-13-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | JKQVAHXBLZERCY-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 | 29qlxDod0Pp |
|---|---|
| Name | Pimelic acid, 2-(2-methoxyethyl)heptyl 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/c1-4-6-8-9-10-11-16-21-30-25(27)18-14-12-15-19-26(28)31-23-24(20-22-29-3)17-13-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | JKQVAHXBLZERCY-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCCCCCCCCC)=O |