SpectraBase Spectrum ID |
K3fRKXjHicM |
Name |
4-(4-Pentafluorophenyloxycarbonyl-butyryl)-piperazine-1-carboxylic acid tert-butyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
466.152712659 u |
Formula |
C20H23F5N2O5 |
InChI |
InChI=1S/C20H23F5N2O5/c1-20(2,3)32-19(30)27-9-7-26(8-10-27)11(28)5-4-6-12(29)31-18-16(24)14(22)13(21)15(23)17(18)25/h4-10H2,1-3H3 |
InChIKey |
TZKNHMMYKDNLOQ-UHFFFAOYSA-N |
Molecular Weight |
466.405 g/mol |
SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCCC(N1CCN(C(OC(C)(C)C)=O)CC1)=O |