| SpectraBase Compound ID | 937DEwxow0a |
|---|---|
| InChI | InChI=1S/C18H22/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-8H2,1H3 |
| InChIKey | LAABQLUIUUYYFU-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 | 3VSu8hbmbYe |
|---|---|
| Name | (Dodeca-1,3-diynyl)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/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-8H2,1H3 |
| InChIKey | LAABQLUIUUYYFU-UHFFFAOYSA-N |
| Molecular Weight | 238.374 g/mol |
| SMILES | C(C#CCCCCCCCC)#CC1=CC=CC=C1 |