| SpectraBase Compound ID | KIW8Q3Uvhto |
|---|---|
| InChI | InChI=1S/C20H30/c1-15-8-11-18(12-9-15)16(2)10-13-19-17(3)7-6-14-20(19,4)5/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3 |
| InChIKey | JGMCKHITARSVNJ-UHFFFAOYSA-N |
| Mol Weight | 270.46 g/mol |
| Molecular Formula | C20H30 |
| Exact Mass | 270.234751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mZQgXP4ePS |
|---|---|
| Name | 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(4-tolyl)butane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.234750966 u |
| Formula | C20H30 |
| InChI | InChI=1S/C20H30/c1-15-8-11-18(12-9-15)16(2)10-13-19-17(3)7-6-14-20(19,4)5/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3 |
| InChIKey | JGMCKHITARSVNJ-UHFFFAOYSA-N |
| Molecular Weight | 270.460 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCC(C1=CC=C(C=C1)C)C |