| SpectraBase Compound ID | FCeKUdgTpfl |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-12(17)19-11-15-9-5-8-14(20-15)10-16(18)13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3 |
| InChIKey | LVPGJCKKEZWDMU-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80uNslDdTPT |
|---|---|
| Name | 1-oxa-2-Acetoxymethyl-6-benzoylmethyl-4-cyclohexene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-12(17)19-11-15-9-5-8-14(20-15)10-16(18)13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3 |
| InChIKey | LVPGJCKKEZWDMU-UHFFFAOYSA-N |
| SMILES | C(CC1OC(COC(=O)C)CC=C1)(=O)C1=CC=CC=C1 |