Product Name Diethylenetriaminepentaacetic acid
CAS67-43-6
MFC14H23N3O10
MW393.35
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)
InChIKeyQPCDCPDFJACHGM-UHFFFAOYSA-N
SmilesC(O)(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
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Assign. Shift(ppm) A 3.584 B 3.443 C 3.000 D 2.887
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
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