![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)[4-(trifluoromethyl)phenyl]methyl]-](/api/spectrum/ChDX3zJHmOg/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)[4-(trifluoromethyl)phenyl]methyl]-")
| SpectraBase Compound ID | A2CqxN0KY6d |
|---|---|
| InChI | InChI=1S/C18H13F3N4S/c19-18(20,21)14-8-6-13(7-9-14)17(26-15-4-2-1-3-5-15)16(10-22)25-12-23-11-24-25/h1-9,11-12,16-17H |
| InChIKey | AZQHDLUYZYMOHJ-UHFFFAOYSA-N |
| Mol Weight | 374.39 g/mol |
| Molecular Formula | C18H13F3N4S |
| Exact Mass | 374.081302 g/mol |
Transmission Infrared (IR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ChDX3zJHmOg |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)[4-(trifluoromethyl)phenyl]methyl]- |
| CAS Registry Number | 101807-28-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H13F3N4S |
| InChI | InChI=1S/C18H13F3N4S/c19-18(20,21)14-8-6-13(7-9-14)17(26-15-4-2-1-3-5-15)16(10-22)25-12-23-11-24-25/h1-9,11-12,16-17H |
| InChIKey | AZQHDLUYZYMOHJ-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |