| SpectraBase Compound ID | LP5nZKgC7EP |
|---|---|
| InChI | InChI=1S/C18H22/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3 |
| InChIKey | IOTLBXHSJYXMIH-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C18H22 |
| Exact Mass | 238.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMoWSn90raR |
|---|---|
| Name | 1,4-bis(3,3-Dimethylbut-1-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.172150708 u |
| Formula | C18H22 |
| InChI | InChI=1S/C18H22/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3 |
| InChIKey | IOTLBXHSJYXMIH-UHFFFAOYSA-N |
| Molecular Weight | 238.374 g/mol |
| SMILES | C(#CC1=CC=C(C#CC(C)(C)C)C=C1)C(C)(C)C |