| SpectraBase Compound ID | KWTseuuz5lL |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b7-6+ |
| InChIKey | HEGYTNOVZBKKAI-VOTSOKGWSA-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 | 7QwQEswc0Ko |
|---|---|
| Name | 3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| 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/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b7-6+ |
| InChIKey | HEGYTNOVZBKKAI-VOTSOKGWSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1(C(C(O)CC=C1C)(C)C)\C=C\C(=O)C |