| SpectraBase Compound ID | LPutllRfzps |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-6-15(17)20-14(11-16(18)19-5-2)13-9-7-12(3)8-10-13/h7-10,14H,4-6,11H2,1-3H3/t14-/m0/s1 |
| InChIKey | DLRXQDURWNAPMK-AWEZNQCLSA-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 | EeH1nx8D9pg |
|---|---|
| Name | (3S)-Ethyl .beta.-butyryloxy-.beta.-(p-methylphenyl)propionate |
| 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/c1-4-6-15(17)20-14(11-16(18)19-5-2)13-9-7-12(3)8-10-13/h7-10,14H,4-6,11H2,1-3H3/t14-/m0/s1 |
| InChIKey | DLRXQDURWNAPMK-AWEZNQCLSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C([C@](OC(=O)CCC)(C1=CC=C(C=C1)C)[H])C(=O)OCC |