| SpectraBase Spectrum ID |
HTk2Gg665Fg |
| Name |
3,4-Diethyl-3-(4-nitrophenyl)-4-(4-fluorophenyl)hexane-4-13C |
| Alternate Name(s) |
3,4-Diethyl-3-(4'-nitrophenyl)-4-(4''-fluorophenyl)hexane
Benzene, 1-fluoro-4-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]- |
| CAS Registry Number |
128270-86-0 |
| Comments |
Original formula: C21[13C]H28FNO2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28FNO2 |
| InChI |
InChI=1S/C22H28FNO2/c1-5-21(6-2,17-9-13-19(23)14-10-17)22(7-3,8-4)18-11-15-20(16-12-18)24(25)26/h9-16H,5-8H2,1-4H3/i21+1 |
| InChIKey |
DFIHOXDWVQSWBZ-ODHDQMIASA-N |
| Molecular Weight |
358.462 g/mol |
| SMILES |
c1([N+]([O-])=O)ccc(C([13C](c2ccc(cc2)F)(CC)CC)(CC)CC)cc1 |
| SPLASH |
splash10-0ab9-0900000000-bcf87050e1f2f0c9e2a1 |
| Source of Spectrum |
J-55-4558-0 |
| Wiley ID |
1346587 |
