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N,N,N',N'-Tetrakis(carboxymethyl)-1,4-butanediamine

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

N,N,N',N'-Tetrakis(carboxymethyl)-1,4-butanediamine
SpectraBase Compound ID Bx5ohN5x5k2
InChI InChI=1S/C12H20N2O8/c15-9(16)5-13(6-10(17)18)3-1-2-4-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey ZIMXAFGAUMQPMG-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C12H20N2O8
Exact Mass 320.121966 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9Qz95N4W8Ht
Name N,N,N',N'-Tetrakis(carboxymethyl)-1,4-butanediamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.121965604 u
Formula C12H20N2O8
InChI InChI=1S/C12H20N2O8/c15-9(16)5-13(6-10(17)18)3-1-2-4-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey ZIMXAFGAUMQPMG-UHFFFAOYSA-N
SMILES OC(CN(CCCCN(CC(O)=O)CC(=O)O)CC(=O)O)=O
Spectrum/Structure Validation Score (Raman) 0.989485