| SpectraBase Compound ID | AOOck8EhdOD |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-2-25-21(23)13-7-5-3-4-6-8-14-22(24)26-20-16-15-18-11-9-10-12-19(18)17-20/h9-12,15-17H,2-8,13-14H2,1H3 |
| InChIKey | ODTAHMXIURIBSR-UHFFFAOYSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hPn3cTAyJA |
|---|---|
| Name | Sebacic acid, ethyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.198759378 u |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-2-25-21(23)13-7-5-3-4-6-8-14-22(24)26-20-16-15-18-11-9-10-12-19(18)17-20/h9-12,15-17H,2-8,13-14H2,1H3 |
| InChIKey | ODTAHMXIURIBSR-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | C(CCCCCCCC(OC=1C=C2C=CC=CC2=CC1)=O)C(OCC)=O |