SpectraBase Spectrum ID |
CR7SrlqAQLy |
Name |
N-Trifluoroacetyl-L-prolyl-.beta.-aminobutyric acid butyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.160991714 u |
Formula |
C15H23F3N2O4 |
InChI |
InChI=1S/C15H23F3N2O4/c1-3-5-9-24-13(22)10(4-2)19-12(21)11-7-6-8-20(11)14(23)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,21) |
InChIKey |
DJNQXGWPLOEKHZ-UHFFFAOYSA-N |
Molecular Weight |
352.354 g/mol |
SMILES |
C(=O)(N1C(CCC1)C(NC(C(OCCCC)=O)CC)=O)C(F)(F)F |