| SpectraBase Compound ID | ABeRcy5aFQv |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-4-19(5-2,17(20)22-6-3)18(21)23-16-12-11-14-9-7-8-10-15(14)13-16/h7-13H,4-6H2,1-3H3 |
| InChIKey | RPKXORQKGLZGBS-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 | A7WitdOpngU |
|---|---|
| Name | Diethylmalonic acid, ethyl 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/c1-4-19(5-2,17(20)22-6-3)18(21)23-16-12-11-14-9-7-8-10-15(14)13-16/h7-13H,4-6H2,1-3H3 |
| InChIKey | RPKXORQKGLZGBS-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC=1C=CC2=CC=CC=C2C1)=O)CC |