| SpectraBase Compound ID | AKXYBaeRb03 |
|---|---|
| InChI | InChI=1S/C15H26O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h10-13H,5-9H2,1-4H3/t11-,12+,13-,15+/m0/s1 |
| InChIKey | CBMZJBDAGKPLSP-SFDCQRBFSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fmqxv5qwiT3 |
|---|---|
| Name | Germacrone hydrogenation |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h10-13H,5-9H2,1-4H3/t11-,12+,13-,15+/m0/s1 |
| InChIKey | CBMZJBDAGKPLSP-SFDCQRBFSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | [C@]12([C@@](C[C@@](C(C2)=O)(C(C)C)[H])([C@@](C)(CCC1)[H])[H])C |