![4-Isothiazolecarboxylic acid, 3-phenyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester](/api/spectrum/5aYGIun50w8/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 3-phenyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester")
| SpectraBase Compound ID | 7syvEGyTHym |
|---|---|
| InChI | InChI=1S/C19H13F3N2O3S/c1-27-18(26)14-15(11-6-3-2-4-7-11)24-28-16(14)17(25)23-13-9-5-8-12(10-13)19(20,21)22/h2-10H,1H3,(H,23,25) |
| InChIKey | GGFBMNJMETWGSR-UHFFFAOYSA-N |
| Mol Weight | 406.38 g/mol |
| Molecular Formula | C19H13F3N2O3S |
| Exact Mass | 406.059898 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5aYGIun50w8 |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 3-phenyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester |
| CAS Registry Number | 126242-99-7 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H13F3N2O3S |
| InChI | InChI=1S/C19H13F3N2O3S/c1-27-18(26)14-15(11-6-3-2-4-7-11)24-28-16(14)17(25)23-13-9-5-8-12(10-13)19(20,21)22/h2-10H,1H3,(H,23,25) |
| InChIKey | GGFBMNJMETWGSR-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |