| SpectraBase Compound ID | dgTb6E5rQm |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-15(11-13-24-18(4)23)9-10-19-14-21-20(17(3)16(19)2)8-7-12-22(21,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | IUPNRGRVXZVUMQ-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NOx4xR3M7Q |
|---|---|
| Name | 15-Acetoxyisofregenedane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-15(11-13-24-18(4)23)9-10-19-14-21-20(17(3)16(19)2)8-7-12-22(21,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | IUPNRGRVXZVUMQ-UHFFFAOYSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C12=C(C(C)=C(C(=C2)CCC(CCOC(=O)C)C)C)CCCC1(C)C |