SULFISOMIDINE(515-64-0) ¹³C NMR

Product NameSULFISOMIDINE

CAS 515-64-0

Molecular FormulaC12H14N4O2S

Molecular Weight278.33

InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey YZMCKZRAOLZXAZ-UHFFFAOYSA-N

SmilesC1(S(NC2C=C(C)N=C(C)N=2)(=O)=O)=CC=C(N)C=C1

Request For Quotation

Mass

MS-NW-9488          
N(1)-(2,6-dimethyl-4-pyrimidinyl)sulfanilamide
C12H14N4O2S         (Mass of molecular ion:    278)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.5
      28.0       2.2
      39.0       4.9
      40.0       1.6
      41.0       2.3
      42.0       6.4
      52.0       1.3
      53.0       1.0
      54.0       2.4
      63.0       1.4
      64.0       2.0
      65.0      21.8
      66.0       5.3
      67.0       1.0
      80.0       1.4
      81.0       1.1
      91.0       1.8
      92.0      31.1
      93.0       3.1
      96.0       1.8
     106.0       1.2
     107.0       5.7
     108.0      25.7
     109.0       2.1
     123.0       2.1
     132.0       1.9
     133.0       3.3
     140.0       2.3
     156.0       5.7
     157.0       1.1
     172.0       2.3
     173.0       1.5
     199.0       1.8
     213.0      62.1
     214.0     100.0
     215.0      13.9
     278.0       1.9
     279.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₄ O₂ S	0.038 g : 0.5 ml DMSO-d₆
N(1)-(2,6-dimethyl-4-pyrimidinyl)sulfanilamide

    Assign.     Shift(ppm)

      A             7.577
      B             6.75
      C             6.599
      D             5.98
      F     *1      2.363
      G     *1      2.263

     Hz     ppm     Int.

   3032.59   7.589    269
   3023.93   7.567    290
   2695.92   6.746    103
   2644.29   6.617     51
   2641.60   6.610    354
   2639.89   6.606    125
   2634.77   6.593    117
   2632.93   6.589    348
   2630.25   6.582     56
   2390.63   5.982     78
    944.34   2.363   1000
    935.67   2.342     25
    935.18   2.340     25
    933.96   2.337     27
    904.66   2.264    934
    894.29   2.238     27

in DMSO-d6