| SpectraBase Spectrum ID |
KNscoRPKe28 |
| Name |
2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.067523122 u |
| Formula |
C21H13F4N5O3S |
| InChI |
InChI=1S/C21H13F4N5O3S/c1-29-15(21(23,24)25)10-16(31)30(20(29)33)12-7-8-14(22)13(9-12)17(32)26-19-28-27-18(34-19)11-5-3-2-4-6-11/h2-10H,1H3,(H,26,28,32) |
| InChIKey |
CCQFJELXYUCDKM-UHFFFAOYSA-N |
| Instrument Name |
Finnigan TRACE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2160 |
| Molecular Weight |
491.421 g/mol |
| Quality |
3 |
| SMILES |
N(C(C1=CC(N2C(N(C(=CC2=O)C(F)(F)F)C)=O)=CC=C1F)=O)C1=NN=C(S1)C1=CC=CC=C1 |
| SPLASH |
splash10-03di-0900000000-73f92558be882cb88f45 |
| Source of Spectrum |
Y-52-1312-8n (DOI: 10.1002/jhet.2160) |
| Wiley ID |
1902502 |
![2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide](/api/spectrum/KNscoRPKe28/structure.png?h=300&w=458 "2-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide")
