| SpectraBase Compound ID | KoCVn7EjRZB |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-2-15-23-19(21)13-4-3-5-14-20(22)24-18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,2-5,13-15H2,1H3 |
| InChIKey | VTUOQIVKEGHICO-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAzb2iLNpC8 |
|---|---|
| Name | Pimelic acid, 1-naphthyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.167459249 u |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-2-15-23-19(21)13-4-3-5-14-20(22)24-18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,2-5,13-15H2,1H3 |
| InChIKey | VTUOQIVKEGHICO-UHFFFAOYSA-N |
| Molecular Weight | 328.408 g/mol |
| SMILES | C(OC1=CC=CC2=C1C=CC=C2)(=O)CCCCCC(OCCC)=O |