| SpectraBase Compound ID | IfgXYwGwoAm |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-3-13-8-10-14(11-9-13)18(20)22-16-7-5-6-15(12-16)21-17(19)4-2/h5-12H,3-4H2,1-2H3 |
| InChIKey | XWEPTFACNKFQFL-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPOBtzi1byv |
|---|---|
| Name | 1,3-Benzenediol, o-(4-ethylbenzoyl)-o'-propionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-3-13-8-10-14(11-9-13)18(20)22-16-7-5-6-15(12-16)21-17(19)4-2/h5-12H,3-4H2,1-2H3 |
| InChIKey | XWEPTFACNKFQFL-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)OC(C1=CC=C(CC)C=C1)=O)OC(CC)=O |