| SpectraBase Compound ID | 798qLLWM2K2 |
|---|---|
| InChI | InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1H3 |
| InChIKey | ACPMYIIORVILBG-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C11H8 |
| Exact Mass | 140.0626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TeI3ZXXJGi |
|---|---|
| Name | 1,3-Pentadiynylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.062600258 u |
| Formula | C11H8 |
| InChI | InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1H3 |
| InChIKey | ACPMYIIORVILBG-UHFFFAOYSA-N |
| Molecular Weight | 140.185 g/mol |
| SMILES | C(#CC#CC)C=1C=CC=CC1 |