MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR2
Product NameMALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT
CAS75321-09-4
Molecular FormulaC20H16MgN2O12
Molecular Weight500.65
InChIInChI=1S/2C10H9NO6.Mg/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;/h2*1-4H,5-6H2,(H,12,13);/q;;+2/p-2
InChIKey WAFDWKYNSTVECG-UHFFFAOYSA-L
SmilesC1(COC(=O)CC(=O)[O-])=CC=C([N+]([O-])=O)C=C1.C1(COC(=O)CC([O-])=O)C=CC([N+]([O-])=O)=CC=1.[Mg+2]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C20 H16 Mg N2 O12 0.030 g : 0.5 ml DMSO-d6 malonic acid mono-p-nitrobenzyl ester magnesium salt 
Assign. Shift(ppm)
A 8.197 B 7.668 C 5.231 D 3.249
Hz ppm Int.3280.64 8.209 541 3271.94 8.188 600 3068.85 7.679 495 3060.46 7.658 502 2090.91 5.232 1000 1317.90 3.298 22 1298.68 3.250 465
in DMSO-d6
KBr disc
nujol mull
