| SpectraBase Compound ID | 1t2NwbTXVRC |
|---|---|
| InChI | InChI=1S/C15H18O5/c1-5-19-13(17)15(3,4)14(18)20-12-8-6-11(7-9-12)10(2)16/h6-9H,5H2,1-4H3 |
| InChIKey | MFTKKTMKNWWZRH-UHFFFAOYSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C15H18O5 |
| Exact Mass | 278.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FKd1mx6gfc |
|---|---|
| Name | Dimethylmalonic acid, 4-acetylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.115423675 u |
| Formula | C15H18O5 |
| InChI | InChI=1S/C15H18O5/c1-5-19-13(17)15(3,4)14(18)20-12-8-6-11(7-9-12)10(2)16/h6-9H,5H2,1-4H3 |
| InChIKey | MFTKKTMKNWWZRH-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC(C(C(OCC)=O)(C)C)=O)C=C1)(=O)C |