| SpectraBase Compound ID | EjCfObUgCO4 |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-14(2)13-22-17(20)6-4-3-5-7-18(21)23-16-10-8-15(12-19)9-11-16/h8-12,14H,3-7,13H2,1-2H3 |
| InChIKey | OGVZITLXRYJPSO-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBKBzcbwCNu |
|---|---|
| Name | Pimelic acid, 4-formylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-14(2)13-22-17(20)6-4-3-5-7-18(21)23-16-10-8-15(12-19)9-11-16/h8-12,14H,3-7,13H2,1-2H3 |
| InChIKey | OGVZITLXRYJPSO-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OCC(C)C)=O |