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N,N-BIS{2-[BIS(CARBOXYMETHYL)AMINO]ETHYL}GLYCINE, CALCIUMTRISODIUM SALT, HYDRATED
SpectraBase Compound ID DICz4EmR56I
InChI InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
InChIKey AWBWYUNJDQLQGT-UHFFFAOYSA-I
Mol Weight 515.37170785 g/mol
Molecular Formula C14H20CaN3Na3O11
Exact Mass 515.041682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWWdbr6zC5w
Name N,N-BIS{2-[BIS(CARBOXYMETHYL)AMINO]ETHYL}GLYCINE, CALCIUMTRISODIUM SALT, HYDRATED
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 62796-80-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18CaN3Na3O10 xH2O
InChI InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
InChIKey AWBWYUNJDQLQGT-UHFFFAOYSA-I
Molecular Weight 497.36 + x(H2O)
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20