| SpectraBase Compound ID | JSbutHpgpYc |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-13(19)22-18-12-15(21-2)9-10-16(18)17(20)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3 |
| InChIKey | ZZOBJEOFSXHRHS-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 | HlxkYbRE74H |
|---|---|
| Name | 1-(2-Hydroxy-4-methoxyphenyl)-3-phenyl-1-propanone, o-acetyl |
| 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/c1-13(19)22-18-12-15(21-2)9-10-16(18)17(20)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3 |
| InChIKey | ZZOBJEOFSXHRHS-UHFFFAOYSA-N |
| SMILES | C(CCC1=CC=CC=C1)(=O)C1=CC=C(OC)C=C1OC(C)=O |