![Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, ethyl ester](/api/spectrum/7KGeCh5poBF/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, ethyl ester")
| SpectraBase Compound ID | D0cWxxFI2ci |
|---|---|
| InChI | InChI=1S/C15H12ClF3N4O6S/c1-2-28-12(24)8-5-3-4-6-9(8)30(26,27)23-14(25)22-13-20-10(16)7-11(21-13)29-15(17,18)19/h3-7H,2H2,1H3,(H2,20,21,22,23,25) |
| InChIKey | LFEJWSCUMMVIDK-UHFFFAOYSA-N |
| Mol Weight | 468.79 g/mol |
| Molecular Formula | C15H12ClF3N4O6S |
| Exact Mass | 468.011817 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7KGeCh5poBF |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, ethyl ester |
| CAS Registry Number | 137160-81-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C15H12ClF3N4O6S |
| InChI | InChI=1S/C15H12ClF3N4O6S/c1-2-28-12(24)8-5-3-4-6-9(8)30(26,27)23-14(25)22-13-20-10(16)7-11(21-13)29-15(17,18)19/h3-7H,2H2,1H3,(H2,20,21,22,23,25) |
| InChIKey | LFEJWSCUMMVIDK-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |