| SpectraBase Compound ID | 3BySdJTaDrO |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-4-7-15-24-19(22)21(5-2,6-3)20(23)25-18-14-10-12-16-11-8-9-13-17(16)18/h8-14H,4-7,15H2,1-3H3 |
| InChIKey | TXVQCESZNIZRCU-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 | ITAGDVFSr3M |
|---|---|
| Name | Diethylmalonic acid, butyl 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/c1-4-7-15-24-19(22)21(5-2,6-3)20(23)25-18-14-10-12-16-11-8-9-13-17(16)18/h8-14H,4-7,15H2,1-3H3 |
| InChIKey | TXVQCESZNIZRCU-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC |