![4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-(1-methylethyl)-](/api/spectrum/3sJx206wbWc/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-(1-methylethyl)-")
| SpectraBase Compound ID | 4iXlyi7nlTY |
|---|---|
| InChI | InChI=1S/C14H13ClN2O3S/c1-7(2)11-10(14(19)20)12(21-17-11)13(18)16-9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,16,18)(H,19,20) |
| InChIKey | SAGWSTFVGLQOSM-UHFFFAOYSA-N |
| Mol Weight | 324.78 g/mol |
| Molecular Formula | C14H13ClN2O3S |
| Exact Mass | 324.033541 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3sJx206wbWc |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-(1-methylethyl)- |
| CAS Registry Number | 126242-86-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H13ClN2O3S |
| InChI | InChI=1S/C14H13ClN2O3S/c1-7(2)11-10(14(19)20)12(21-17-11)13(18)16-9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,16,18)(H,19,20) |
| InChIKey | SAGWSTFVGLQOSM-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |