![Benzoic acid, 2-[[[[[4-chloro-6-(3-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-4-fluoro-, methyl ester](/api/spectrum/LZCwjLJw06k/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(3-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-4-fluoro-, methyl ester")
| SpectraBase Compound ID | 6HVTXSfnO38 |
|---|---|
| InChI | InChI=1S/C20H16ClFN4O7S/c1-31-12-4-3-5-13(9-12)33-17-10-16(21)23-19(24-17)25-20(28)26-34(29,30)15-8-11(22)6-7-14(15)18(27)32-2/h3-10H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | LPUWKCXRPHWXFW-UHFFFAOYSA-N |
| Mol Weight | 510.88 g/mol |
| Molecular Formula | C20H16ClFN4O7S |
| Exact Mass | 510.041226 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LZCwjLJw06k |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-(3-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-4-fluoro-, methyl ester |
| CAS Registry Number | 130035-28-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H16ClFN4O7S |
| InChI | InChI=1S/C20H16ClFN4O7S/c1-31-12-4-3-5-13(9-12)33-17-10-16(21)23-19(24-17)25-20(28)26-34(29,30)15-8-11(22)6-7-14(15)18(27)32-2/h3-10H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | LPUWKCXRPHWXFW-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |