| SpectraBase Compound ID | ENOAtaV3hcl |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-2-3-4-7-16-24-20(22)14-9-15-21(23)25-19-13-8-11-17-10-5-6-12-18(17)19/h5-6,8,10-13H,2-4,7,9,14-16H2,1H3 |
| InChIKey | NRZGUDRCHVIJQK-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 | 5PtnZDmSbWP |
|---|---|
| Name | Glutaric acid, hexyl 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/c1-2-3-4-7-16-24-20(22)14-9-15-21(23)25-19-13-8-11-17-10-5-6-12-18(17)19/h5-6,8,10-13H,2-4,7,9,14-16H2,1H3 |
| InChIKey | NRZGUDRCHVIJQK-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=CC2=C1C=CC=C2)=O)=O |