| SpectraBase Compound ID | 8OycN4vNHaQ |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-2-3-16-24-20(22)14-5-4-6-15-21(23)25-19-13-9-11-17-10-7-8-12-18(17)19/h7-13H,2-6,14-16H2,1H3 |
| InChIKey | FPBRBPLOTRADHE-UHFFFAOYSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSieiZh3FTp |
|---|---|
| Name | Pimelic acid, butyl 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.183109313 u |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-2-3-16-24-20(22)14-5-4-6-15-21(23)25-19-13-9-11-17-10-7-8-12-18(17)19/h7-13H,2-6,14-16H2,1H3 |
| InChIKey | FPBRBPLOTRADHE-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | C(OC1=CC=CC2=C1C=CC=C2)(=O)CCCCCC(OCCCC)=O |