![Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/2JRpW5R9wzn/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | FM2DOzZwfnl |
|---|---|
| InChI | InChI=1S/C20H17ClN4O7S/c1-30-12-7-9-13(10-8-12)32-17-11-16(21)22-19(23-17)24-20(27)25-33(28,29)15-6-4-3-5-14(15)18(26)31-2/h3-11H,1-2H3,(H2,22,23,24,25,27) |
| InChIKey | KBTQDEWFSRGDJG-UHFFFAOYSA-N |
| Mol Weight | 492.89 g/mol |
| Molecular Formula | C20H17ClN4O7S |
| Exact Mass | 492.050648 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 2JRpW5R9wzn |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 130019-64-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H17ClN4O7S |
| InChI | InChI=1S/C20H17ClN4O7S/c1-30-12-7-9-13(10-8-12)32-17-11-16(21)22-19(23-17)24-20(27)25-33(28,29)15-6-4-3-5-14(15)18(26)31-2/h3-11H,1-2H3,(H2,22,23,24,25,27) |
| InChIKey | KBTQDEWFSRGDJG-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |