| SpectraBase Compound ID | 957LzMH8v5f |
|---|---|
| InChI | InChI=1S/C9H5F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | XMGKHJYSXPUKNW-UHFFFAOYSA-N |
| Mol Weight | 202.19 g/mol |
| Molecular Formula | C9H5F3S |
| Exact Mass | 202.006406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGBIEDckdmV |
|---|---|
| Name | 2-(trifluoromethylsulfanyl)ethynylbenzene |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H5F3S |
| InChI | InChI=1S/C9H5F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | XMGKHJYSXPUKNW-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 202.194 g/mol |
| Source File Reference | MHKO1417 |