Diethylenetriaminepentaacetic acid(67-43-6) IR1
Molecular FormulaC14H23N3O10
Molecular Weight393.35
InChIInChI=1S/C14H23N3O10/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)
InChIKey QPCDCPDFJACHGM-UHFFFAOYSA-N
SmilesC(O)(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
-

Assign. Shift(ppm)
A 3.584
B 3.443
C 3.000
D 2.887
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
-

ppm Int. Assign.
172.43 1000 1
169.32 125 2
54.85 431 3
54.65 109 4
51.62 187 5
49.94 161 6
Spectral Code: 13C NMR : in DMSO-d6
-

Spectral Code: IR : KBr disc