![Benzoic acid, 2-[[[[[4-(4-cyanophenoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/KFfHAfc07bI/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-(4-cyanophenoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | D0ccsxP91DG |
|---|---|
| InChI | InChI=1S/C21H17N5O6S/c1-13-11-18(32-15-9-7-14(12-22)8-10-15)24-20(23-13)25-21(28)26-33(29,30)17-6-4-3-5-16(17)19(27)31-2/h3-11H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | PBESHBAMYRODEI-UHFFFAOYSA-N |
| Mol Weight | 467.46 g/mol |
| Molecular Formula | C21H17N5O6S |
| Exact Mass | 467.089954 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KFfHAfc07bI |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-(4-cyanophenoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 130019-98-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H17N5O6S |
| InChI | InChI=1S/C21H17N5O6S/c1-13-11-18(32-15-9-7-14(12-22)8-10-15)24-20(23-13)25-21(28)26-33(29,30)17-6-4-3-5-16(17)19(27)31-2/h3-11H,1-2H3,(H2,23,24,25,26,28) |
| InChIKey | PBESHBAMYRODEI-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 88 C |
| Technique | KBr-Pellet |