| SpectraBase Compound ID | GOe1DN7ayGu |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-11(14)7-8-13(15)10-16-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3 |
| InChIKey | JSNLJONCGUBYFM-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2yLJroRGzak |
|---|---|
| Name | 1-(Benzyloxy)-hexane-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-11(14)7-8-13(15)10-16-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3 |
| InChIKey | JSNLJONCGUBYFM-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(OCC1=CC=CC=C1)C(=O)CCC(=O)C |