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2,2',2'',2'''-(1,2-phenylenebis(azanetriyl))tetraethanol, tetraacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2',2'',2'''-(1,2-phenylenebis(azanetriyl))tetraethanol, tetraacetate
SpectraBase Compound ID A88kdd0Cdjd
InChI InChI=1S/C22H32N2O8/c1-17(25)29-13-9-23(10-14-30-18(2)26)21-7-5-6-8-22(21)24(11-15-31-19(3)27)12-16-32-20(4)28/h5-8H,9-16H2,1-4H3
InChIKey LZXHAHFIUZQNQC-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C22H32N2O8
Exact Mass 452.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JABacfWkx48
Name 2,2',2'',2'''-(1,2-phenylenebis(azanetriyl))tetraethanol, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.215865990 u
Formula C22H32N2O8
InChI InChI=1S/C22H32N2O8/c1-17(25)29-13-9-23(10-14-30-18(2)26)21-7-5-6-8-22(21)24(11-15-31-19(3)27)12-16-32-20(4)28/h5-8H,9-16H2,1-4H3
InChIKey LZXHAHFIUZQNQC-UHFFFAOYSA-N
Molecular Weight 452.504 g/mol
SMILES C(N(CCOC(C)=O)C1=C(C=CC=C1)N(CCOC(=O)C)CCOC(C)=O)COC(C)=O