![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(methylthio)[4-(trifluoromethyl)phenyl]methyl]-](/api/spectrum/4EWL6B36Thg/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(methylthio)[4-(trifluoromethyl)phenyl]methyl]-")
| SpectraBase Compound ID | FZvjk9hCBI1 |
|---|---|
| InChI | InChI=1S/C13H11F3N4S/c1-21-12(11(6-17)20-8-18-7-19-20)9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,11-12H,1H3 |
| InChIKey | GYUJWPVOOXXHRR-UHFFFAOYSA-N |
| Mol Weight | 312.31 g/mol |
| Molecular Formula | C13H11F3N4S |
| Exact Mass | 312.065652 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4EWL6B36Thg |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(methylthio)[4-(trifluoromethyl)phenyl]methyl]- |
| CAS Registry Number | 101807-23-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H11F3N4S |
| InChI | InChI=1S/C13H11F3N4S/c1-21-12(11(6-17)20-8-18-7-19-20)9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,11-12H,1H3 |
| InChIKey | GYUJWPVOOXXHRR-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |