![4-Isothiazolecarboxylic acid, 3-methyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-](/api/spectrum/KXJ7i603ISE/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 3-methyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-")
| SpectraBase Compound ID | ATCKdll1ImG |
|---|---|
| InChI | InChI=1S/C13H9F3N2O3S/c1-6-9(12(20)21)10(22-18-6)11(19)17-8-4-2-3-7(5-8)13(14,15)16/h2-5H,1H3,(H,17,19)(H,20,21) |
| InChIKey | GMDPRMBVRUSJQF-UHFFFAOYSA-N |
| Mol Weight | 330.28 g/mol |
| Molecular Formula | C13H9F3N2O3S |
| Exact Mass | 330.028598 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KXJ7i603ISE |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 3-methyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]- |
| CAS Registry Number | 126242-69-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H9F3N2O3S |
| InChI | InChI=1S/C13H9F3N2O3S/c1-6-9(12(20)21)10(22-18-6)11(19)17-8-4-2-3-7(5-8)13(14,15)16/h2-5H,1H3,(H,17,19)(H,20,21) |
| InChIKey | GMDPRMBVRUSJQF-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |