![Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/Bl22MT97hg8/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | 4ePWqBIpKeg |
|---|---|
| InChI | InChI=1S/C14H10ClF3N4O5S/c1-27-11(23)7-4-2-3-5-8(7)28(25,26)22-13(24)21-12-19-9(14(16,17)18)6-10(15)20-12/h2-6H,1H3,(H2,19,20,21,22,24) |
| InChIKey | SMAVERJKMOUNPW-UHFFFAOYSA-N |
| Mol Weight | 438.77 g/mol |
| Molecular Formula | C14H10ClF3N4O5S |
| Exact Mass | 438.001253 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Bl22MT97hg8 |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 126655-42-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H10ClF3N4O5S |
| InChI | InChI=1S/C14H10ClF3N4O5S/c1-27-11(23)7-4-2-3-5-8(7)28(25,26)22-13(24)21-12-19-9(14(16,17)18)6-10(15)20-12/h2-6H,1H3,(H2,19,20,21,22,24) |
| InChIKey | SMAVERJKMOUNPW-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |