![Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-propenyl)-](/api/spectrum/8UL91zGvYkF/structure.png?h=300&w=458 "Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-propenyl)-")
| SpectraBase Compound ID | 494HSDTibS6 |
|---|---|
| InChI | InChI=1S/C12H10F6N2S/c1-2-3-19-10(21)20-9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2,4-6H,1,3H2,(H2,19,20,21) |
| InChIKey | GASTZCPNGDNQDL-UHFFFAOYSA-N |
| Mol Weight | 328.28 g/mol |
| Molecular Formula | C12H10F6N2S |
| Exact Mass | 328.046888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UL91zGvYkF |
|---|---|
| Name | Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-propenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.046888482 u |
| Formula | C12H10F6N2S |
| InChI | InChI=1S/C12H10F6N2S/c1-2-3-19-10(21)20-9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2,4-6H,1,3H2,(H2,19,20,21) |
| InChIKey | GASTZCPNGDNQDL-UHFFFAOYSA-N |
| Molecular Weight | 328.276 g/mol |
| SMILES | C(=S)(NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NCC=C |