| SpectraBase Compound ID | GO9B1HX91oY |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-4-19(5-2,17(20)22-6-3)18(21)23-16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3 |
| InChIKey | IRWSVMHDBGMBEY-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 | 3mSThxMUs6e |
|---|---|
| Name | Diethylmalonic acid, 1-naphthyl ethyl 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/c1-4-19(5-2,17(20)22-6-3)18(21)23-16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3 |
| InChIKey | IRWSVMHDBGMBEY-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC=1C=CC=C2C=CC=CC12)=O)CC |