| SpectraBase Compound ID | 14c2AjZvUlZ |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-5-21(6-2,19(22)24-17-13-9-7-11-15(17)3)20(23)25-18-14-10-8-12-16(18)4/h7-14H,5-6H2,1-4H3 |
| InChIKey | DMPAFUDFTKUIRU-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZxnlAEwu4w |
|---|---|
| Name | Diethylmalonic acid, di(2-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-5-21(6-2,19(22)24-17-13-9-7-11-15(17)3)20(23)25-18-14-10-8-12-16(18)4/h7-14H,5-6H2,1-4H3 |
| InChIKey | DMPAFUDFTKUIRU-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CCC(C(OC=1C(C)=CC=CC1)=O)(C(OC1=C(C=CC=C1)C)=O)CC |