N,N'-Dibenzyl ethylenediamine diacetate(122-75-8) MS
Product NameN,N'-Dibenzyl ethylenediamine diacetate
CAS122-75-8
Molecular FormulaC20H28N2O4
Molecular Weight360.45
InChIInChI=1S/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)
InChIKey MTRNNCLQPVCDLF-UHFFFAOYSA-N
SmilesC1(=CC=CC=C1)CNCCNCC1=CC=CC=C1.C(=O)(O)C.C(=O)(O)C
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Assign. Shift(ppm)
A 9.48 B 7.48 to 7.16 C 3.873 D 2.921 E 1.963Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
177.45 484 1 135.03 471 2 129.14 1000 3 * 128.79 991 4 * 128.26 471 5 51.86 276 6 44.66 262 7 22.94 204 8Spectral Code: 13C NMR : in CDCl3
KBr disk
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Spectral Code: Raman : 4880 A,200 M,powder
