| SpectraBase Compound ID | 1tvfdSaG32g |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-11(2)10-18-13(16)15(3,4)14(17)19-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey | PTNQZRSTMUZPTH-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UExPWlryTN |
|---|---|
| Name | Dimethylmalonic acid, isobutyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-11(2)10-18-13(16)15(3,4)14(17)19-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey | PTNQZRSTMUZPTH-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C1=CC=CC(=C1)OC(=O)C(C)(C)C(OCC(C)C)=O |