| SpectraBase Compound ID | 64P9Z7TgoMK |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-3-13-22-17(19)7-5-4-6-8-18(20)23-14-15-9-11-16(21-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | ITUFAQYRXJONCB-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZGY67HXclS |
|---|---|
| Name | Pimelic acid, 4-methoxybenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-3-13-22-17(19)7-5-4-6-8-18(20)23-14-15-9-11-16(21-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | ITUFAQYRXJONCB-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)OC)(=O)CCCCCC(OCCC)=O |