| SpectraBase Spectrum ID |
LCRG6BHMCUR |
| Name |
4-(3-Pentafluorophenyloxycarbonyl-propionyl)-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 |
452.137062594 u |
| Formula |
C19H21F5N2O5 |
| InChI |
InChI=1S/C19H21F5N2O5/c1-19(2,3)31-18(29)26-8-6-25(7-9-26)10(27)4-5-11(28)30-17-15(23)13(21)12(20)14(22)16(17)24/h4-9H2,1-3H3 |
| InChIKey |
NPHSSTGTPMVEDK-UHFFFAOYSA-N |
| Molecular Weight |
452.378 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCC(N1CCN(C(OC(C)(C)C)=O)CC1)=O |
