| SpectraBase Spectrum ID |
1k5ccdOexf2 |
| Name |
2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H11F4N5O5S |
| InChI |
InChI=1S/C20H11F4N5O5S/c1-27-15(20(22,23)24)8-16(30)28(19(27)32)9-2-4-12(21)11(6-9)17(31)26-18-25-13-5-3-10(29(33)34)7-14(13)35-18/h2-8H,1H3,(H,25,26,31) |
| InChIKey |
JDEQSVVWZLGGSP-UHFFFAOYSA-N |
| Instrument Name |
Finnigan TRACE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2453 |
| Molecular Weight |
509.392 g/mol |
| SMILES |
N(C(c1cc(N2C(C=C(N(C2=O)C)C(F)(F)F)=O)ccc1F)=O)c1sc2c(n1)ccc(c2)[N+]([O-])=O |
| SPLASH |
splash10-02t9-0709010000-d16c42145fc043c0c78e |
| Source of Spectrum |
Y-53-1497-3e |
| Wiley ID |
1877720 |
![2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide](/api/spectrum/1k5ccdOexf2/structure.png?h=300&w=458 "2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide")
