| SpectraBase Compound ID | BYG6P4zBDtI |
|---|---|
| InChI | InChI=1S/C17H22/c1-5-6-7-10-15-11-8-9-12-16(15)13-14-17(2,3)4/h7-12H,5-6H2,1-4H3/b10-7+ |
| InChIKey | LJUQLMLDKQMWOB-JXMROGBWSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C17H22 |
| Exact Mass | 226.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIfl642b5iw |
|---|---|
| Name | (E/Z)-1-(3,3-Dimethylbut-1-ynyl)-2-(pent-1-enyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.172150708 u |
| Formula | C17H22 |
| InChI | InChI=1S/C17H22/c1-5-6-7-10-15-11-8-9-12-16(15)13-14-17(2,3)4/h7-12H,5-6H2,1-4H3/b10-7+ |
| InChIKey | LJUQLMLDKQMWOB-JXMROGBWSA-N |
| Molecular Weight | 226.363 g/mol |
| SMILES | C1=CC=CC(C#CC(C)(C)C)=C1\C=C\CCC |