| SpectraBase Spectrum ID |
2UXKCgExPFW |
| Name |
2-{2-[4-Tert-butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-phenylpropyliden}-malonic acid dinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.148653383 u |
| Formula |
C26H22F3N3S |
| InChI |
InChI=1S/C26H22F3N3S/c1-17(23(19(14-30)15-31)18-9-6-5-7-10-18)24-32(22(16-33-24)25(2,3)4)21-12-8-11-20(13-21)26(27,28)29/h5-13,16H,1-4H3/b24-17- |
| InChIKey |
BMCUUCIOVNISKA-ULJHMMPZSA-N |
| Molecular Weight |
465.538 g/mol |
| SMILES |
C1=CC=C(C=C1C(F)(F)F)N1C(=CS\C1=C\(C(=C(C#N)C#N)C1=CC=CC=C1)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890187 |
![2-{2-[4-Tert-butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-phenylpropyliden}-malonic acid dinitrile](/api/spectrum/2UXKCgExPFW/structure.png?h=300&w=458 "2-{2-[4-Tert-butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-phenylpropyliden}-malonic acid dinitrile")
