PAMOIC ACID, NA(7681-47-2) IR2
Product NamePAMOIC ACID, NA
CAS7681-47-2
Molecular FormulaC23H14Na2O6
Molecular Weight432.3332
InChIInChI=1S/C23H16O6.2Na/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2
InChIKey YGLLICRFEVEWOZ-UHFFFAOYSA-L
Smiles[Na+].[Na+].[O-]C1C(C(=O)O[H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2C=1C([H])([H])C1=C(C(C(=O)O[H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)[O-]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C23 H14 Na2 O6 0.038 g : 0.5 ml DMSO-d6 4,4'-methylenebis(3-hydroxy-2-naphthoic acid) disodium salt 
Assign. Shift(ppm)
A 16.81 B 8.260 C 8.25 D 7.677 E 7.149 F 7.041 G 4.729 ASSIGNED BY C-H COSY.
Hz ppm Int.6726.32 16.831 34 6719.73 16.815 1000 3301.27 8.261 804 3290.53 8.234 296 3072.51 7.689 254 3064.70 7.669 278 2865.97 7.172 127 2864.75 7.169 133 2862.55 7.163 49 2859.13 7.155 191 2857.91 7.152 234 2856.20 7.147 158 2850.59 7.133 168 2849.37 7.130 170 2820.56 7.058 185 2813.23 7.040 271 2806.40 7.023 138 2805.42 7.020 139 1890.14 4.730 397 1880.37 4.706 22
in DMSO-d6
KBr disc
nujol mull
