![Benzoic acid, 2-[[[[[4-chloro-6-(4-cyanophenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/A5XjsSO9OUU/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(4-cyanophenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | 3etFaQ91Pq2 |
|---|---|
| InChI | InChI=1S/C20H14ClN5O6S/c1-31-18(27)14-4-2-3-5-15(14)33(29,30)26-20(28)25-19-23-16(21)10-17(24-19)32-13-8-6-12(11-22)7-9-13/h2-10H,1H3,(H2,23,24,25,26,28) |
| InChIKey | RDSYZRAEXAQDJS-UHFFFAOYSA-N |
| Mol Weight | 487.87 g/mol |
| Molecular Formula | C20H14ClN5O6S |
| Exact Mass | 487.035332 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | A5XjsSO9OUU |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-(4-cyanophenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 130019-72-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H14ClN5O6S |
| InChI | InChI=1S/C20H14ClN5O6S/c1-31-18(27)14-4-2-3-5-15(14)33(29,30)26-20(28)25-19-23-16(21)10-17(24-19)32-13-8-6-12(11-22)7-9-13/h2-10H,1H3,(H2,23,24,25,26,28) |
| InChIKey | RDSYZRAEXAQDJS-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |