![1H-1,2,4-Triazole-1-acetonitrile, alpha-[[[(4-chlorophenyl)methyl]thio]-3-thienylmethyl]-](/api/spectrum/9kv6wDFTHDR/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[[[(4-chlorophenyl)methyl]thio]-3-thienylmethyl]-")
| SpectraBase Compound ID | 5w1ZmlTkWSn |
|---|---|
| InChI | InChI=1S/C16H13ClN4S2/c17-14-3-1-12(2-4-14)8-23-16(13-5-6-22-9-13)15(7-18)21-11-19-10-20-21/h1-6,9-11,15-16H,8H2 |
| InChIKey | YWZSURKUKQVCEK-UHFFFAOYSA-N |
| Mol Weight | 360.88 g/mol |
| Molecular Formula | C16H13ClN4S2 |
| Exact Mass | 360.027016 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9kv6wDFTHDR |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[[[(4-chlorophenyl)methyl]thio]-3-thienylmethyl]- |
| CAS Registry Number | 101807-37-8 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C16H13ClN4S2 |
| InChI | InChI=1S/C16H13ClN4S2/c17-14-3-1-12(2-4-14)8-23-16(13-5-6-22-9-13)15(7-18)21-11-19-10-20-21/h1-6,9-11,15-16H,8H2 |
| InChIKey | YWZSURKUKQVCEK-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |