![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(pentylthio)[4-(trifluoromethyl)phenyl]methyl]-](/api/spectrum/9AzqHsSAnss/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(pentylthio)[4-(trifluoromethyl)phenyl]methyl]-")
| SpectraBase Compound ID | KWQdFNCbCqo |
|---|---|
| InChI | InChI=1S/C17H19F3N4S/c1-2-3-4-9-25-16(15(10-21)24-12-22-11-23-24)13-5-7-14(8-6-13)17(18,19)20/h5-8,11-12,15-16H,2-4,9H2,1H3 |
| InChIKey | VAARESPNEDWIRG-UHFFFAOYSA-N |
| Mol Weight | 368.42 g/mol |
| Molecular Formula | C17H19F3N4S |
| Exact Mass | 368.128252 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9AzqHsSAnss |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(pentylthio)[4-(trifluoromethyl)phenyl]methyl]- |
| CAS Registry Number | 101807-27-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H19F3N4S |
| InChI | InChI=1S/C17H19F3N4S/c1-2-3-4-9-25-16(15(10-21)24-12-22-11-23-24)13-5-7-14(8-6-13)17(18,19)20/h5-8,11-12,15-16H,2-4,9H2,1H3 |
| InChIKey | VAARESPNEDWIRG-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | Film |