![4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-ethyl-, methyl ester](/api/spectrum/87SdxctlXpC/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-ethyl-, methyl ester")
| SpectraBase Compound ID | 4Yo9px89XFn |
|---|---|
| InChI | InChI=1S/C14H13ClN2O3S/c1-3-10-11(14(19)20-2)12(21-17-10)13(18)16-9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H,16,18) |
| InChIKey | UTIPFTOQTKUSTC-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 | 87SdxctlXpC |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-ethyl-, methyl ester |
| CAS Registry Number | 126242-77-1 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H13ClN2O3S |
| InChI | InChI=1S/C14H13ClN2O3S/c1-3-10-11(14(19)20-2)12(21-17-10)13(18)16-9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H,16,18) |
| InChIKey | UTIPFTOQTKUSTC-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 88 C |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |