| SpectraBase Compound ID | DHB0REQgwI8 |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-13-7-5-9-15(11-13)22-17(20)19(3,4)18(21)23-16-10-6-8-14(2)12-16/h5-12H,1-4H3 |
| InChIKey | UQSYKRWPYWYPID-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Sr6HVguUi6 |
|---|---|
| Name | Dimethylmalonic acid, di(3-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-13-7-5-9-15(11-13)22-17(20)19(3,4)18(21)23-16-10-6-8-14(2)12-16/h5-12H,1-4H3 |
| InChIKey | UQSYKRWPYWYPID-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | CC1=CC=CC(=C1)OC(C(C(OC1=CC(C)=CC=C1)=O)(C)C)=O |