| SpectraBase Compound ID | 8189ZnmRcsq |
|---|---|
| InChI | InChI=1S/C13H16O4/c14-13-16-9-7-12(17-13)6-8-15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | RSSVFCWGXUJIHL-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPUfCKZJVwy |
|---|---|
| Name | 4-(2-Benzoxyethyl)-1,3-dioxan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c14-13-16-9-7-12(17-13)6-8-15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | RSSVFCWGXUJIHL-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(OC(CCOCC=2C=CC=CC2)CCO1)=O |