4563-84-2

Sodium sulfamethoxazole(4563-84-2) ¹³C NMR

Product NameSodium sulfamethoxazole

CAS 4563-84-2

Molecular FormulaC10H12N3NaO3S

Molecular Weight277.27

InChIInChI=1S/C10H12N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6,17H,11H2,1H3,(H-,12,13,14,15);/q-1;+1

InChIKey BFZOTUFZDLEIPB-UHFFFAOYSA-N

SmilesC1=C(N)C=CC(S(=O)(N([Na])C2C=C(C)ON=2)O)=C1

Request For Quotation

400 MHz in DMSO-d6

Sodium sulfamethoxazole(4563-84-2) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₀ N₃ Na O₃ S	0.036 g : 0.5 ml DMSO-d₆
N-(5-methyl-3-isoxazolyl)sulfanilamide monosodium salt

    Assign.     Shift(ppm)

      A             7.346
      B             6.458
      C             5.684
      D             5.36
      E             2.092
     
     J(C,E)=0.9HZ

     Hz     ppm     Int.

   2942.87   7.364     37
   2940.43   7.358    361
   2938.48   7.353    113
   2936.16   7.347     24
   2933.72   7.341    111
   2931.76   7.336    390
   2929.20   7.330     55
   2587.65   6.475     44
   2585.08   6.469    409
   2583.13   6.464    123
   2578.37   6.452    114
   2576.42   6.447    383
   2573.85   6.441     54
   2272.58   5.687    370
   2271.61   5.684    355
   2140.75   5.357    315
    836.43   2.093   1000
    835.57   2.091    932

in DMSO-d6