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Ethylenediamine-N,N'-diacetic-N,N'-di-beta-propionic acid

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

Ethylenediamine-N,N'-diacetic-N,N'-di-beta-propionic acid
SpectraBase Compound ID 3suSCedTmpJ
InChI InChI=1S/C12H20N2O8/c15-9(16)1-3-13(7-11(19)20)5-6-14(8-12(21)22)4-2-10(17)18/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey IZQWNOQOAFSHOK-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C12H20N2O8
Exact Mass 320.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWeguep7sHE
Name Ethylenediamine-N,N'-diacetic-N,N'-di-beta-propionic acid
Comments Computed using HOSE algorithm
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Exact Mass 320.121965604 u
Formula C12H20N2O8
InChI InChI=1S/C12H20N2O8/c15-9(16)1-3-13(7-11(19)20)5-6-14(8-12(21)22)4-2-10(17)18/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey IZQWNOQOAFSHOK-UHFFFAOYSA-N
Molecular Weight 320.298 g/mol
SMILES C(CCN(CC(=O)O)CCN(CC(=O)O)CCC(=O)O)(=O)O