| SpectraBase Compound ID | 5fddKOj2CdK |
|---|---|
| InChI | InChI=1S/C10H10OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-3H2,1H3 |
| InChIKey | IXVWUOCAEMKCFA-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C10H10OS |
| Exact Mass | 178.045236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0pI2SW86OD |
|---|---|
| Name | 1-(2-(3-Chlorophenyl)ethynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.045236115 u |
| Formula | C10H10OS |
| InChI | InChI=1S/C10H10OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-3H2,1H3 |
| InChIKey | IXVWUOCAEMKCFA-UHFFFAOYSA-N |
| Molecular Weight | 178.249 g/mol |
| SMILES | C(#CCCC)C(=O)C=1SC=CC1 |