| SpectraBase Compound ID | 4GR1ZOaDaGV |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-9-8-13(16)11(3)12(14(9,4)5)7-6-10(2)15/h6-7,9-10,15H,8H2,1-5H3/b7-6+ |
| InChIKey | PHDIWIGXBYRDID-VOTSOKGWSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cw8fR2EOj95 |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-(3-hydroxy-1-butenyl)-2,4,4,5-tetramethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-9-8-13(16)11(3)12(14(9,4)5)7-6-10(2)15/h6-7,9-10,15H,8H2,1-5H3/b7-6+ |
| InChIKey | PHDIWIGXBYRDID-VOTSOKGWSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C1(=C(C(=O)CC(C1(C)C)C)C)\C=C\C(O)C |