| SpectraBase Compound ID | 4DNnXMsTGgU |
|---|---|
| InChI | InChI=1S/C19H30/c1-15(17-10-6-5-7-11-17)12-13-18-16(2)9-8-14-19(18,3)4/h5-6,11,15H,7-10,12-14H2,1-4H3 |
| InChIKey | KHTWYECNZUIVDP-UHFFFAOYSA-N |
| Mol Weight | 258.45 g/mol |
| Molecular Formula | C19H30 |
| Exact Mass | 258.234751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8P3odOu5fh |
|---|---|
| Name | 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(1,4-cyclohexadien-1-yl)butane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.234750966 u |
| Formula | C19H30 |
| InChI | InChI=1S/C19H30/c1-15(17-10-6-5-7-11-17)12-13-18-16(2)9-8-14-19(18,3)4/h5-6,11,15H,7-10,12-14H2,1-4H3 |
| InChIKey | KHTWYECNZUIVDP-UHFFFAOYSA-N |
| Molecular Weight | 258.449 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCC(C1=CCC=CC1)C |