| SpectraBase Compound ID | KUf7uHUUz5E |
|---|---|
| InChI | InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3 |
| InChIKey | GMBRUAIJEFRHFQ-UHFFFAOYSA-N |
| Mol Weight | 403.5 g/mol |
| Molecular Formula | C12H8Cl5N3O2 |
| Exact Mass | 400.905915 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3ygUMcgq4vh |
|---|---|
| Name | 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester |
| CAS Registry Number | 103112-35-2 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H8Cl5N3O2 |
| InChI | InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3 |
| InChIKey | GMBRUAIJEFRHFQ-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |