| SpectraBase Compound ID | H667E2rzQf9 |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-6-7-11-15-21-17(19)13-9-8-10-14-18(20)22-16(3)12-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | PAWYPJJDGOMLDK-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FNX0dnXvlhG |
|---|---|
| Name | Pimelic acid, hexyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-6-7-11-15-21-17(19)13-9-8-10-14-18(20)22-16(3)12-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | PAWYPJJDGOMLDK-UHFFFAOYSA-N |
| SMILES | C(OC(C)CCC)(=O)CCCCCC(OCCCCCC)=O |