| SpectraBase Compound ID | K2yrtOKLrdX |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h10-11,14-15H,7-8H2,1-4H3 |
| InChIKey | PJYBCOAMCYWPHQ-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44N8W4VoQH1 |
|---|---|
| Name | 3,5,5-Trimethyl-4-(3-oxidanylbut-1-ynyl)cyclohex-3-en-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h10-11,14-15H,7-8H2,1-4H3 |
| InChIKey | PJYBCOAMCYWPHQ-UHFFFAOYSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1(C#CC(O)C)=C(CC(CC1(C)C)O)C |