| SpectraBase Compound ID | EdZxzScS1hQ |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-5-10-20-14(18)16(3,4)15(19)21-13-8-6-12(7-9-13)11(2)17/h6-9H,5,10H2,1-4H3 |
| InChIKey | ATCKDCIGTISFHB-UHFFFAOYSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AChivK8bqY4 |
|---|---|
| Name | Dimethylmalonic acid, 4-acetylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-5-10-20-14(18)16(3,4)15(19)21-13-8-6-12(7-9-13)11(2)17/h6-9H,5,10H2,1-4H3 |
| InChIKey | ATCKDCIGTISFHB-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)OC(C(C)(C(OCCC)=O)C)=O)C(=O)C |