| SpectraBase Compound ID | B4MfCK367cw |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-13-7-5-9-15(2,3)14(13)8-11-16(4,18)10-6-12-17/h17-18H,5,7-9,11-12H2,1-4H3 |
| InChIKey | QZXCTSQGPASGCF-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rQ2DPASAbD |
|---|---|
| Name | 4-Methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)-2-hexyne-1,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-13-7-5-9-15(2,3)14(13)8-11-16(4,18)10-6-12-17/h17-18H,5,7-9,11-12H2,1-4H3 |
| InChIKey | QZXCTSQGPASGCF-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCC(C#CCO)(O)C |