| SpectraBase Compound ID | ARElorqLTG2 |
|---|---|
| InChI | InChI=1S/C12H5BrN4O4S/c13-7-4-9(17(19)20)11(10-6(7)2-1-3-14-10)21-12(18)8-5-22-16-15-8/h1-5H |
| InChIKey | NMQJCXIOCBTLQE-UHFFFAOYSA-N |
| Mol Weight | 381.16 g/mol |
| Molecular Formula | C12H5BrN4O4S |
| Exact Mass | 379.921489 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4bMUj3DXsHg |
|---|---|
| Name | 1,2,3-Thiadiazole-4-carboxylic acid, 5-bromo-7-nitro-8-quinolinyl ester |
| CAS Registry Number | 113608-02-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H5BrN4O4S |
| InChI | InChI=1S/C12H5BrN4O4S/c13-7-4-9(17(19)20)11(10-6(7)2-1-3-14-10)21-12(18)8-5-22-16-15-8/h1-5H |
| InChIKey | NMQJCXIOCBTLQE-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |