| SpectraBase Compound ID | KHOj3JkalyY |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-4-11(10-8-6-5-7-9-10)12-13(16)18-15(2,3)19-14(12)17/h5-9,11-12H,4H2,1-3H3/t11-/m0/s1 |
| InChIKey | HPBGZKRBDAMPRW-NSHDSACASA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMyLrNoJBzQ |
|---|---|
| Name | 5-(1-Phenylpropyl)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-4-11(10-8-6-5-7-9-10)12-13(16)18-15(2,3)19-14(12)17/h5-9,11-12H,4H2,1-3H3/t11-/m0/s1 |
| InChIKey | HPBGZKRBDAMPRW-NSHDSACASA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C1(=O)OC(C)(C)OC(=O)C1[C@@](CC)(c1ccccc1)[H] |