| SpectraBase Compound ID | 1tpJ9ElF9bk |
|---|---|
| InChI | InChI=1S/C11H11Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-3H2,1H3 |
| InChIKey | YXTMZOHVWOZIAE-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C11H11Cl |
| Exact Mass | 178.054928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fStDDZYmGh |
|---|---|
| Name | 1-Chloro-4-(pent-1-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.054928054 u |
| Formula | C11H11Cl |
| InChI | InChI=1S/C11H11Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-3H2,1H3 |
| InChIKey | YXTMZOHVWOZIAE-UHFFFAOYSA-N |
| Molecular Weight | 178.662 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CCCC)Cl |