![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(4-fluorophenyl)(pentylthio)methyl]-](/api/spectrum/Gxrx8QSKJc9/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(4-fluorophenyl)(pentylthio)methyl]-")
| SpectraBase Compound ID | JXvBKjkoP5Y |
|---|---|
| InChI | InChI=1S/C16H19FN4S/c1-2-3-4-9-22-16(13-5-7-14(17)8-6-13)15(10-18)21-12-19-11-20-21/h5-8,11-12,15-16H,2-4,9H2,1H3 |
| InChIKey | OPPVJPBYZGTONT-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C16H19FN4S |
| Exact Mass | 318.131446 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Gxrx8QSKJc9 |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(4-fluorophenyl)(pentylthio)methyl]- |
| CAS Registry Number | 101807-03-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H19FN4S |
| InChI | InChI=1S/C16H19FN4S/c1-2-3-4-9-22-16(13-5-7-14(17)8-6-13)15(10-18)21-12-19-11-20-21/h5-8,11-12,15-16H,2-4,9H2,1H3 |
| InChIKey | OPPVJPBYZGTONT-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | Film |