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3-Azanonanedioic acid, N-trifluoroacetyl-8-trifluoroacetamido-, dibutyl(ester)
SpectraBase Compound ID AenuQ12W7ym
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
Mol Weight 508.46 g/mol
Molecular Formula C20H30F6N2O6
Exact Mass 508.200806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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