| SpectraBase Compound ID | 97f9Yw2SHDd |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-11-19-14(17)16(2,3)15(18)20-12-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3 |
| InChIKey | DLLJBHVTNRKYDS-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJVeptF0oPn |
|---|---|
| Name | Dimethylmalonic acid, 2-phenethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-11-19-14(17)16(2,3)15(18)20-12-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3 |
| InChIKey | DLLJBHVTNRKYDS-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(=O)OCCC |