| SpectraBase Compound ID | BrObkZegVO3 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-15-12(14)9-11-13(17-8-7-16-11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3 |
| InChIKey | NYXZBGWOHXYHJI-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 | 8HqQmbc9NIs |
|---|---|
| Name | Methyl 2-(3-phenyl-1,4-dioxan-2-yl)acetate |
| 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/c1-15-12(14)9-11-13(17-8-7-16-11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3 |
| InChIKey | NYXZBGWOHXYHJI-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(C1C(OCCO1)C=1C=CC=CC1)C(=O)OC |