| SpectraBase Compound ID | 2sX2OBhUjJE |
|---|---|
| InChI | InChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+ |
| InChIKey | VWORGKSAVUQKSQ-DUXPYHPUSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C19H18O3 |
| Exact Mass | 294.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtnqLAtAnyO |
|---|---|
| Name | Alnusone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.125594437 u |
| Formula | C19H18O3 |
| InChI | InChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+ |
| InChIKey | VWORGKSAVUQKSQ-DUXPYHPUSA-N |
| SMILES | C1=C(C2=CC(=C1)CCC(\C=C\CCC1=CC2=C(C=C1)O)=O)O |