| SpectraBase Compound ID | 1mzfCA7U02G |
|---|---|
| InChI | InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,11-12H,1,7,9H2,2-4H3/t11-,12-,15+/m0/s1 |
| InChIKey | PHRADXUJOZKVDN-SLEUVZQESA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C15H20O |
| Exact Mass | 216.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElU7HKeJntF |
|---|---|
| Name | Dehydronootkatone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.151415263 u |
| Formula | C15H20O |
| InChI | InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,11-12H,1,7,9H2,2-4H3/t11-,12-,15+/m0/s1 |
| InChIKey | PHRADXUJOZKVDN-SLEUVZQESA-N |
| Molecular Weight | 216.324 g/mol |
| SMILES | [C@]12(C(=CC(C[C@@]2(C)[H])=O)C=C[C@@](C1)(C(=C)C)[H])C |