| SpectraBase Compound ID | EUOV0qagOBO |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-2-14-21-17(19)11-7-4-8-12-18(20)22-15-13-16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3 |
| InChIKey | BWUTVUDSRDGDQJ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1Ormn4nNlX |
|---|---|
| Name | Pimelic acid, phenethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-2-14-21-17(19)11-7-4-8-12-18(20)22-15-13-16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3 |
| InChIKey | BWUTVUDSRDGDQJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(=O)CCCCCC(OCCC)=O |