| SpectraBase Compound ID | FjAh4d8JowR |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-6-7-8-9-10-14-17-25-21(23)15-12-11-13-16-22(24)26-20(4)18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | BVSQRPFHIKKRHK-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwcysO2u0ck |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-5-6-7-8-9-10-14-17-25-21(23)15-12-11-13-16-22(24)26-20(4)18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | BVSQRPFHIKKRHK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCOC(=O)CCCCCC(OC(CC(C)C)C)=O)CCC |