| SpectraBase Compound ID | HESTEzU2xXs |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-10-6-13(16)7-11-4-5-12(8-14(10,11)2)15(3)9-17-15/h7,10,12H,4-6,8-9H2,1-3H3 |
| InChIKey | JUWSZKSYEBPKOW-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e8s7fwY1p4 |
|---|---|
| Name | Nootkaton-11,12-epoxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-10-6-13(16)7-11-4-5-12(8-14(10,11)2)15(3)9-17-15/h7,10,12H,4-6,8-9H2,1-3H3 |
| InChIKey | JUWSZKSYEBPKOW-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C12=CC(=O)CC(C2(CC(CC1)C1(C)CO1)C)C |