3,5-Dinitro-2-hydroxybenzoic acid sodium(46506-88-1) IR2
Product Name3,5-Dinitro-2-hydroxybenzoic acid sodium
CAS46506-88-1
Molecular FormulaC7H4N2O7.Na
Molecular Weight251.11
InChIInChI=1S/C7H4N2O7.Na/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKey VKSMGADJZIODFU-UHFFFAOYSA-M
SmilesC1(C([O-])=O)=CC(=CC([N+]([O-])=O)=C1O)[N+]([O-])=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H3 N2 Na O7 0.037 g : 0.5 ml DMSO-d6 sodium 3,5-dinitrosalicylate 
Assign. Shift(ppm)
A 17.2 B 8.714 C 8.696
Hz ppm Int.6867.19 17.184 307 3485.11 8.721 469 3481.69 8.712 990 3476.81 8.700 1000 3473.39 8.692 474 3471.44 8.687 34
in DMSO-d6
KBr disc
nujol mull
