| SpectraBase Compound ID | D8dfE9VJVtC |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-3-15-13(16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | DTLKIEUIPAYFLA-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxV2f6eZ1nb |
|---|---|
| Name | 3-oxo-3-Phenylpropanal 1-diethyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-3-15-13(16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | DTLKIEUIPAYFLA-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C(=O)C=1C=CC=CC1)C(OCC)OCC |