![Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/1EhEJZ1SNrK/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | 2RKXTbA1NSY |
|---|---|
| InChI | InChI=1S/C14H11F3N4O5S/c1-26-11(22)8-4-2-3-5-9(8)27(24,25)21-13(23)20-12-18-7-6-10(19-12)14(15,16)17/h2-7H,1H3,(H2,18,19,20,21,23) |
| InChIKey | RNDLRFPEKRSPJF-UHFFFAOYSA-N |
| Mol Weight | 404.32 g/mol |
| Molecular Formula | C14H11F3N4O5S |
| Exact Mass | 404.040225 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1EhEJZ1SNrK |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 126655-53-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H11F3N4O5S |
| InChI | InChI=1S/C14H11F3N4O5S/c1-26-11(22)8-4-2-3-5-9(8)27(24,25)21-13(23)20-12-18-7-6-10(19-12)14(15,16)17/h2-7H,1H3,(H2,18,19,20,21,23) |
| InChIKey | RNDLRFPEKRSPJF-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |