| SpectraBase Compound ID | 5QWu1hKsmvx |
|---|---|
| InChI | InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H |
| InChIKey | GFEPANUKFYVALF-UHFFFAOYSA-N |
| Mol Weight | 203.18 g/mol |
| Molecular Formula | C8H4F3NS |
| Exact Mass | 203.001655 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dt3RYcpYBs8 |
|---|---|
| Name | 1-Isothiocyanato-3-(trifluoromethyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H4F3NS |
| InChI | InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H |
| InChIKey | GFEPANUKFYVALF-UHFFFAOYSA-N |
| Molecular Weight | 203.182 g/mol |
| SMILES | C(F)(F)(F)c1cccc(N=C=S)c1 |
| SPLASH | splash10-0udi-4890000000-1fcd2b0c021d201298d5 |
| Source of Spectrum | UY-2018-242-0 |
| Wiley ID | 1808674 |