| SpectraBase Spectrum ID |
7ctwJcDKrXg |
| Name |
RU 58841 A (-2H) |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
367.114375873 u |
| Formula |
C17H16F3N3O3 |
| InChI |
InChI=1S/C17H16F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey |
DJWJMDRLVINRPF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
367.328 g/mol |
| Nominal Mass |
367 u |
| Quality |
927 |
| Retention Index |
2817 |
| SMILES |
C1(N(C(N(C1(C)C)CCCC=O)=O)C=1C=C(C(=CC1)C#N)C(F)(F)F)=O |
| SPLASH |
splash10-00di-8119000000-47107f7be41b7e503a6e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4,4-dimethyl-2,5-dioxo-3-(4-oxobutyl)imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028895 |
