| SpectraBase Compound ID | A9jnufGo8A5 |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-2-3-4-9-16-25-21(23)12-7-8-13-22(24)26-20-15-14-18-10-5-6-11-19(18)17-20/h5-6,10-11,14-15,17H,2-4,7-9,12-13,16H2,1H3 |
| InChIKey | PMAWPLGZJZOGOX-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 | B35ynmQj1sH |
|---|---|
| Name | Adipic acid, hexyl 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/c1-2-3-4-9-16-25-21(23)12-7-8-13-22(24)26-20-15-14-18-10-5-6-11-19(18)17-20/h5-6,10-11,14-15,17H,2-4,7-9,12-13,16H2,1H3 |
| InChIKey | PMAWPLGZJZOGOX-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | CCCCCCOC(CCCCC(=O)OC1=CC=C2C(=C1)C=CC=C2)=O |