| SpectraBase Compound ID | E86nAhkqKzs |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-2-3-13-22-18(20)9-6-10-19(21)23-17-12-11-15-7-4-5-8-16(15)14-17/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3 |
| InChIKey | CPUXDGVQZZTRFV-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm60j0fci6V |
|---|---|
| Name | Glutaric acid, butyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.151809184 u |
| Formula | C19H22O4 |
| InChI | InChI=1S/C19H22O4/c1-2-3-13-22-18(20)9-6-10-19(21)23-17-12-11-15-7-4-5-8-16(15)14-17/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3 |
| InChIKey | CPUXDGVQZZTRFV-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | CCCCOC(CCCC(OC1=CC=C2C(=C1)C=CC=C2)=O)=O |