| SpectraBase Compound ID | Lxv1nxeV7FP |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-3-21-16(18)7-5-4-6-8-17(19)22-13-14-9-11-15(20-2)12-10-14/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | NADZWKCGXANTNS-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 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 | 7vZQbGyFHfC |
|---|---|
| Name | Pimelic acid, ethyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-3-21-16(18)7-5-4-6-8-17(19)22-13-14-9-11-15(20-2)12-10-14/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | NADZWKCGXANTNS-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=C(C=C1)OC)(=O)CCCCCC(OCC)=O |