| SpectraBase Compound ID | 1mNQATECfFC |
|---|---|
| InChI | InChI=1S/C9H4ClF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H |
| InChIKey | QVOCNTXIHXBJFM-UHFFFAOYSA-N |
| Mol Weight | 204.58 g/mol |
| Molecular Formula | C9H4ClF3 |
| Exact Mass | 203.995362 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HiU1fYdmEke |
|---|---|
| Name | 1-(chloroethynyl)-4-(trifluoromethyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H4ClF3 |
| InChI | InChI=1S/C9H4ClF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H |
| InChIKey | QVOCNTXIHXBJFM-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1039/C5OB00494B |
| Molecular Weight | 204.579 g/mol |
| SMILES | c1c(ccc(c1)C(F)(F)F)C#CCl |
| SPLASH | splash10-0udi-0590000000-95f3e734a9f8d630808f |
| Source of Spectrum | F5-13-5859/SM6-1g |
| Wiley ID | 1806877 |