![4-Isothiazolecarboxylic acid, 3-phenyl-5-[(phenylamino)carbonyl]-,methyl ester](/api/spectrum/GI5Og6CBO4J/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 3-phenyl-5-[(phenylamino)carbonyl]-,methyl ester")
| SpectraBase Compound ID | 89FEPq0venk |
|---|---|
| InChI | InChI=1S/C18H14N2O3S/c1-23-18(22)14-15(12-8-4-2-5-9-12)20-24-16(14)17(21)19-13-10-6-3-7-11-13/h2-11H,1H3,(H,19,21) |
| InChIKey | PFXGZNIEKZQNDB-UHFFFAOYSA-N |
| Mol Weight | 338.38 g/mol |
| Molecular Formula | C18H14N2O3S |
| Exact Mass | 338.072513 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | GI5Og6CBO4J |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 3-phenyl-5-[(phenylamino)carbonyl]-,methyl ester |
| CAS Registry Number | 126242-95-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H14N2O3S |
| InChI | InChI=1S/C18H14N2O3S/c1-23-18(22)14-15(12-8-4-2-5-9-12)20-24-16(14)17(21)19-13-10-6-3-7-11-13/h2-11H,1H3,(H,19,21) |
| InChIKey | PFXGZNIEKZQNDB-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |