| SpectraBase Compound ID | HYmLDZY36lc |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-3-5-7-8-13-17-23-19(21)15-11-9-10-14-18(20)22-16-12-6-4-2/h3-17H2,1-2H3 |
| InChIKey | ZPHCTASFAVJOPH-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vIhIVmpw7i |
|---|---|
| Name | Pimelic acid, heptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-3-5-7-8-13-17-23-19(21)15-11-9-10-14-18(20)22-16-12-6-4-2/h3-17H2,1-2H3 |
| InChIKey | ZPHCTASFAVJOPH-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCCCCC)(=O)CCCCCC(OCCCCCCC)=O |