SpectraBase Compound ID | 9C7VlWP7zNu |
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InChI | InChI=1S/C12H13ClN4S/c13-11-3-1-10(2-4-11)12(15-5-6-18-12)7-17-9-14-8-16-17/h1-4,8-9,15H,5-7H2 |
InChIKey | PUJVNPDCIYGYSJ-UHFFFAOYSA-N |
Mol Weight | 280.78 g/mol |
Molecular Formula | C12H13ClN4S |
Exact Mass | 280.054945 g/mol |
SpectraBase Spectrum ID | 1qJ4TjlXE9C |
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Name | 1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)-2-thiazolidinyl]methyl]-, (+/-)- |
CAS Registry Number | 89081-50-5 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C12H13ClN4S |
InChI | InChI=1S/C12H13ClN4S/c13-11-3-1-10(2-4-11)12(15-5-6-18-12)7-17-9-14-8-16-17/h1-4,8-9,15H,5-7H2 |
InChIKey | PUJVNPDCIYGYSJ-UHFFFAOYSA-N |
Instrument Name | Bruker IFS 85 |
Purity | slightly contaminated |
Technique | KBr-Pellet |