METANILIC ACID SODIUM SALT(1126-34-7) 13C NMR
Product NameMETANILIC ACID SODIUM SALT
CAS1126-34-7
Molecular FormulaC6H6NNaO3S
Molecular Weight195.17
InChIInChI=1S/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1
InChIKey GLXWXYTYBIBBLD-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)=CC=CC(N)=C1.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H6 N Na O3 S 0.042 g : 0.5 ml DMSO-d6 sodium m-aminobenzenesulfonate 
Assign. Shift(ppm)
A 6.956 B 6.918 C 6.795 D 6.508 E 5.11
Hz ppm Int.2788.21 6.977 326 2784.55 6.968 30 2780.40 6.958 706 2776.12 6.947 34 2772.71 6.938 451 2766.72 6.923 450 2764.89 6.919 631 2762.94 6.914 479 2719.97 6.806 346 2718.87 6.804 466 2718.38 6.802 427 2717.29 6.800 353 2712.40 6.787 307 2711.30 6.785 364 2710.82 6.783 375 2709.72 6.781 284 2606.57 6.523 300 2605.47 6.520 340 2604.25 6.517 313 2603.15 6.514 308 2598.63 6.503 298 2597.53 6.500 305 2596.31 6.497 314 2595.21 6.494 283 2042.72 5.112 1000
in DMSO-d6
KBr disc
nujol mull
