| SpectraBase Compound ID | B6P0wWof3cw |
|---|---|
| InChI | InChI=1S/C15H22O/c1-5-6-7-9-15(4)10-8-13(12(2)3)11-14(15)16/h1,13H,2,6-11H2,3-4H3/t13-,15+/m1/s1 |
| InChIKey | JGFHMQYBRCITLA-HIFRSBDPSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Keqs0Lzvde9 |
|---|---|
| Name | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-2-(4-pentynyl)-, (2S-cis)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-5-6-7-9-15(4)10-8-13(12(2)3)11-14(15)16/h1,13H,2,6-11H2,3-4H3/t13-,15+/m1/s1 |
| InChIKey | JGFHMQYBRCITLA-HIFRSBDPSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1([C@](CC[C@](C1)(C(=C)C)[H])(CCCC#C)C)=O |