![Benzoic acid, 2-chloro-6-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/JtojhOVhWjM/structure.png?h=300&w=458 "Benzoic acid, 2-chloro-6-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | Kr3tVQbH17m |
|---|---|
| InChI | InChI=1S/C20H16Cl2N4O7S/c1-31-11-6-8-12(9-7-11)33-16-10-15(22)23-19(24-16)25-20(28)26-34(29,30)14-5-3-4-13(21)17(14)18(27)32-2/h3-10H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | PALKBGUGMUESSE-UHFFFAOYSA-N |
| Mol Weight | 527.34 g/mol |
| Molecular Formula | C20H16Cl2N4O7S |
| Exact Mass | 526.011675 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JtojhOVhWjM |
|---|---|
| Name | Benzoic acid, 2-chloro-6-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 130035-31-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H16Cl2N4O7S |
| InChI | InChI=1S/C20H16Cl2N4O7S/c1-31-11-6-8-12(9-7-11)33-16-10-15(22)23-19(24-16)25-20(28)26-34(29,30)14-5-3-4-13(21)17(14)18(27)32-2/h3-10H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | PALKBGUGMUESSE-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |