| SpectraBase Compound ID | 3bgKSTs69p4 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-11(2)18-15-9-10-16(5,6)14(13(15)4)8-7-12(3)17/h11-12,15,17H,7-10H2,1-6H3 |
| InChIKey | DOVLYSPQMIPKES-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuJrx5HzREF |
|---|---|
| Name | 1-Cyclohexene-1-propanol, .alpha.,2,6,6-tetramethyl-3-(1-methylethoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-11(2)18-15-9-10-16(5,6)14(13(15)4)8-7-12(3)17/h11-12,15,17H,7-10H2,1-6H3 |
| InChIKey | DOVLYSPQMIPKES-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C1(=C(C(OC(C)C)CCC1(C)C)C)CCC(O)C |