| SpectraBase Compound ID | hodhADTHlG |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3 |
| InChIKey | YQDNOUUVUBGJGX-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AOkNfsb3EPt |
|---|---|
| Name | Diethyl 2-(3,5-dimethylbenzyl)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3 |
| InChIKey | YQDNOUUVUBGJGX-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C=1(C=C(CC(C(=O)OCC)C(=O)OCC)C=C(C1)C)C |