![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)-3-thienylmethyl]-](/api/spectrum/3LrLYIeC2jk/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)-3-thienylmethyl]-")
| SpectraBase Compound ID | 1FmvOj7nxRk |
|---|---|
| InChI | InChI=1S/C15H12N4S2/c16-8-14(19-11-17-10-18-19)15(12-6-7-20-9-12)21-13-4-2-1-3-5-13/h1-7,9-11,14-15H |
| InChIKey | NLLRXWMYLRSDLN-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C15H12N4S2 |
| Exact Mass | 312.050339 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3LrLYIeC2jk |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(phenylthio)-3-thienylmethyl]- |
| CAS Registry Number | 101807-36-7 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C15H12N4S2 |
| InChI | InChI=1S/C15H12N4S2/c16-8-14(19-11-17-10-18-19)15(12-6-7-20-9-12)21-13-4-2-1-3-5-13/h1-7,9-11,14-15H |
| InChIKey | NLLRXWMYLRSDLN-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |