| SpectraBase Compound ID | IAkI9lh6iRF |
|---|---|
| InChI | InChI=1S/C18H20O5/c1-13(2)10-22-17(19)11-21-12-18(20)23-16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13H,10-12H2,1-2H3 |
| InChIKey | QUPRDQJWLDRLSQ-UHFFFAOYSA-N |
| Mol Weight | 316.35 g/mol |
| Molecular Formula | C18H20O5 |
| Exact Mass | 316.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1h8i09TDrTw |
|---|---|
| Name | Diglycolic acid, isobutyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.131073739 u |
| Formula | C18H20O5 |
| InChI | InChI=1S/C18H20O5/c1-13(2)10-22-17(19)11-21-12-18(20)23-16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13H,10-12H2,1-2H3 |
| InChIKey | QUPRDQJWLDRLSQ-UHFFFAOYSA-N |
| Molecular Weight | 316.353 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=CC2=C(C=C1)C=CC=C2 |