| SpectraBase Compound ID | Ix1YkhIUCBf |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-2-25-21(23)16-7-5-3-4-6-8-17-22(24)26-20-15-11-13-18-12-9-10-14-19(18)20/h9-15H,2-8,16-17H2,1H3 |
| InChIKey | UOLZVKLBSAZAPQ-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 | 9JHc3w1TJxc |
|---|---|
| Name | Sebacic acid, ethyl 1-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)16-7-5-3-4-6-8-17-22(24)26-20-15-11-13-18-12-9-10-14-19(18)20/h9-15H,2-8,16-17H2,1H3 |
| InChIKey | UOLZVKLBSAZAPQ-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | C(CCCCCCCC(OC=1C2=CC=CC=C2C=CC1)=O)C(OCC)=O |