| SpectraBase Compound ID | 5VMd83CoidD |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-2-3-4-7-15-24-20(22)11-8-12-21(23)25-19-14-13-17-9-5-6-10-18(17)16-19/h5-6,9-10,13-14,16H,2-4,7-8,11-12,15H2,1H3 |
| InChIKey | GOPHNRHFOLWWQB-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 | IRdjGCjf5Lh |
|---|---|
| Name | Glutaric acid, hexyl 2-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/c1-2-3-4-7-15-24-20(22)11-8-12-21(23)25-19-14-13-17-9-5-6-10-18(17)16-19/h5-6,9-10,13-14,16H,2-4,7-8,11-12,15H2,1H3 |
| InChIKey | GOPHNRHFOLWWQB-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=C2C(=C1)C=CC=C2)=O)=O |