| SpectraBase Compound ID | CDhV9cxlknZ |
|---|---|
| InChI | InChI=1S/C23H22O5/c1-15(24)27-22-11-8-17-5-3-4-6-19(26)10-7-18-9-12-23(28-16(2)25)21(14-18)20(22)13-17/h4,6,8-9,11-14H,3,5,7,10H2,1-2H3/b6-4+ |
| InChIKey | RLQDKOWOJDYQJV-GQCTYLIASA-N |
| Mol Weight | 378.42 g/mol |
| Molecular Formula | C23H22O5 |
| Exact Mass | 378.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsM0I8Gk53U |
|---|---|
| Name | Alnusone diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.146723803 u |
| Formula | C23H22O5 |
| InChI | InChI=1S/C23H22O5/c1-15(24)27-22-11-8-17-5-3-4-6-19(26)10-7-18-9-12-23(28-16(2)25)21(14-18)20(22)13-17/h4,6,8-9,11-14H,3,5,7,10H2,1-2H3/b6-4+ |
| InChIKey | RLQDKOWOJDYQJV-GQCTYLIASA-N |
| Molecular Weight | 378.424 g/mol |
| SMILES | C1=C(C2=CC(=C1)CCC(\C=C\CCC1=CC2=C(C=C1)OC(C)=O)=O)OC(=O)C |