| SpectraBase Compound ID | K3WCGPvnkpQ |
|---|---|
| InChI | InChI=1S/C16H28O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h9,17H,5-8,10-12H2,1-4H3/b13-9+ |
| InChIKey | RDYSZUCEVQRYDZ-UKTHLTGXSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJ2q7gTD5py |
|---|---|
| Name | 4-Hexen-1-ol, 6-(2,6,6-trimethyl-1-cyclohexenyl)-4-methyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h9,17H,5-8,10-12H2,1-4H3/b13-9+ |
| InChIKey | RDYSZUCEVQRYDZ-UKTHLTGXSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C1(=C(C(CCC1)(C)C)C\C=C\(CCCO)C)C |