| SpectraBase Compound ID | FtbHADBBvSa |
|---|---|
| InChI | InChI=1S/C22H22/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,5-6,9-10,15-16H2 |
| InChIKey | AFUUJURKGOLDMR-UHFFFAOYSA-N |
| Mol Weight | 286.42 g/mol |
| Molecular Formula | C22H22 |
| Exact Mass | 286.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwMqKvoquYU |
|---|---|
| Name | Benzene, 1,1'-(4,6-decadiyne-1,10-diyl)bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.172150708 u |
| Formula | C22H22 |
| InChI | InChI=1S/C22H22/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,5-6,9-10,15-16H2 |
| InChIKey | AFUUJURKGOLDMR-UHFFFAOYSA-N |
| Molecular Weight | 286.418 g/mol |
| SMILES | C(CC#CC#CCCCC1=CC=CC=C1)CC1=CC=CC=C1 |