| SpectraBase Spectrum ID |
DLMCgFqmGWr |
| Name |
1-(4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)hexane-1,2-dione |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.196234409 u |
| Formula |
C23H26F2N2O2 |
| InChI |
InChI=1S/C23H26F2N2O2/c1-2-3-4-21(28)23(29)27-15-13-26(14-16-27)22(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,22H,2-4,13-16H2,1H3 |
| InChIKey |
XPZCKLWHEFGIQL-UHFFFAOYSA-N |
| Instrument Name |
AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202200062 |
| Molecular Weight |
400.470 g/mol |
| Quality |
112 |
| Reported Formula |
C23H26F2N2O2 |
| SMILES |
C1N(C(C(CCCC)=O)=O)CCN(C1)C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F |
| SPLASH |
splash10-0udr-6290000000-eee5762025617f3faef3 |
| Source of Spectrum |
ACI-61-SM19-3x (DOI: 10.1002/anie.202200062) |
| Thin-Layer Chromatography |
0.2 (pentane/EA, 5:1) |
| Wiley ID |
1897603 |
