SpectraBase Spectrum ID |
A5vRKnI9cw |
Name |
3-Azanonanedioic acid, N-trifluoroacetyl-8-trifluoroacetamido-, dibutyl(ester) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
508.200805666 u |
Formula |
C20H30F6N2O6 |
InChI |
InChI=1S/C20H30F6N2O6/c1-3-5-11-33-15(29)13-28(18(32)20(24,25)26)10-8-7-9-14(16(30)34-12-6-4-2)27-17(31)19(21,22)23/h14H,3-13H2,1-2H3,(H,27,31) |
InChIKey |
NCUZXGLUMLFROK-UHFFFAOYSA-N |
Molecular Weight |
508.458 g/mol |
SMILES |
C(=O)(N(CC(=O)OCCCC)CCCCC(C(=O)OCCCC)NC(=O)C(F)(F)F)C(F)(F)F |