![4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-phenyl-, methyl ester](/api/spectrum/1jWx30gKecM/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-phenyl-, methyl ester")
| SpectraBase Compound ID | uzunkwVktN |
|---|---|
| InChI | InChI=1S/C18H13ClN2O3S/c1-24-18(23)14-15(11-5-3-2-4-6-11)21-25-16(14)17(22)20-13-9-7-12(19)8-10-13/h2-10H,1H3,(H,20,22) |
| InChIKey | HVTBJHAOYZGCHV-UHFFFAOYSA-N |
| Mol Weight | 372.83 g/mol |
| Molecular Formula | C18H13ClN2O3S |
| Exact Mass | 372.033541 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1jWx30gKecM |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-3-phenyl-, methyl ester |
| CAS Registry Number | 126242-97-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H13ClN2O3S |
| InChI | InChI=1S/C18H13ClN2O3S/c1-24-18(23)14-15(11-5-3-2-4-6-11)21-25-16(14)17(22)20-13-9-7-12(19)8-10-13/h2-10H,1H3,(H,20,22) |
| InChIKey | HVTBJHAOYZGCHV-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |