![4-Isothiazolecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-3-phenyl-, methyl ester](/api/spectrum/ECz8UujspVY/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-3-phenyl-, methyl ester")
| SpectraBase Compound ID | CnHhoU92c7a |
|---|---|
| InChI | InChI=1S/C16H18N2O3S/c1-16(2,3)17-14(19)13-11(15(20)21-4)12(18-22-13)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,17,19) |
| InChIKey | IGRHACKAODENSX-UHFFFAOYSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C16H18N2O3S |
| Exact Mass | 318.103814 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ECz8UujspVY |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-3-phenyl-, methyl ester |
| CAS Registry Number | 126242-93-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H18N2O3S |
| InChI | InChI=1S/C16H18N2O3S/c1-16(2,3)17-14(19)13-11(15(20)21-4)12(18-22-13)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,17,19) |
| InChIKey | IGRHACKAODENSX-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |