Monoperoxyphthalic acid magnesium salt hexahydrate(84665-66-7) 1H NMR
Product NameMonoperoxyphthalic acid magnesium salt hexahydrate
CAS84665-66-7
Molecular FormulaC16H11MgO11-
Molecular Weight403.56
InChIInChI=1S/2C8H6O5.Mg.H2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;;/h2*1-4,12H,(H,9,10);;1H2/q;;+2;/p-3
InChIKey PKWGPNIAFCQOGQ-UHFFFAOYSA-K
SmilesC(C1C=CC=CC=1C1O[O-][Mg+2]2([O-]OC(C3C=CC=CC=3C(=O)[O-])=O2)O=1)(=O)[O-].[H+].O
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C16 H10 Mg O10 0.037 g : 0.5 ml DMSO-d6 monoperoxyphthalic acid magnesium salt 
Assign. Shift(ppm)
A 8.174 B 7.536 C 3.5
Hz ppm Int.3271.36 8.186 512 3267.94 8.178 535 3265.63 8.172 541 3262.08 8.163 532 3020.02 7.557 148 3016.60 7.549 1000 3013.06 7.540 872 3010.62 7.534 865 3007.20 7.525 930 3003.91 7.517 113 3003.17 7.515 100 1458.98 3.651 83
in DMSO-d6
KBr disc
