21312-10-7

醋磺胺甲噁唑(21312-10-7)核磁图(¹HNMR)

产品名称:醋磺胺甲噁唑

CAS:21312-10-7

分子式:C12H13N3O4S

分子量: 295.31

InChI:InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)

InChIKey: GXPIUNZCALHVBA-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(S(NC2C=C(C)ON=2)(=O)=O)C=C1)(=O)C

Mass

MS-IW-4292          
N-(5-methyl-3-isoxazolyl)-N-sulfanilylacetamide
C12H13N3O4S         (Mass of molecular ion:    295)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      14.0       4.3
      15.0       3.1
      17.0       2.4
      18.0      13.3
      26.0       2.2
      27.0       6.4
      28.0      10.3
      29.0       1.1
      34.0       1.0
      38.0       2.7
      39.0      11.7
      40.0       3.7
      41.0       9.5
      42.0      22.6
      43.0      45.6
      44.0       2.4
      48.0       1.8
      50.0       1.4
      51.0       2.5
      52.0       4.6
      53.0       5.3
      54.0       3.3
      55.0       2.7
      57.0       1.1
      62.0       1.4
      63.0       4.2
      64.0       7.8
      65.0      54.9
      66.0       9.6
      67.0       2.1
      68.0       2.8
      69.0       1.1
      78.0       1.3
      79.0       2.7
      80.0       6.8
      81.0       3.1
      83.0       1.1
      90.0       1.4
      91.0       5.1
      92.0     100.0
      93.0      28.4
      94.0       1.9
      97.0       2.0
      98.0       5.0
      99.0       1.3
     105.0       1.7
     106.0      15.4
     107.0       8.6
     108.0      71.2
     109.0      20.5
     110.0       1.6
     118.0       3.4
     119.0      25.5
     120.0       2.9
     122.0      11.8
     123.0      16.3
     124.0       4.6
     125.0      12.6
     126.0       1.1
     132.0       1.5
     140.0      11.2
     141.0       1.6
     145.0       2.4
     146.0      26.8
     147.0      28.6
     148.0       4.2
     149.0       1.0
     156.0      93.1
     157.0       8.4
     158.0       4.8
     160.0       2.6
     162.0      12.7
     163.0       2.6
     173.0      20.8
     174.0      12.9
     175.0       2.3
     188.0      10.4
     189.0      83.5
     190.0      10.2
     231.0      22.3
     232.0       3.2
     253.0       8.5
     254.0       1.6
     295.0       3.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₃ N₃ O₄ S	0.036 g : 0.5 ml DMSO-d₆
N-(5-methyl-3-isoxazolyl)-N-sulfanilylacetamide

    Assign.     Shift(ppm)

      A             7.612
      B             6.660
      C             6.628
      D             6.41
      E             2.499
      F             1.914
     
     J(C,E)=0.7HZ

     Hz     ppm     Int.

   3049.68   7.631     32
   3046.88   7.624    274
   3045.04   7.620     72
   3039.92   7.607     83
   3038.09   7.602    294
   3035.28   7.595     29
   2668.70   6.678     42
   2666.02   6.671    304
   2664.06   6.666     78
   2658.94   6.654     87
   2657.10   6.649    294
   2654.17   6.642     33
   2649.54   6.630    250
   2648.56   6.628    236
   2561.16   6.409    192
    999.15   2.501    705
    998.41   2.499    612
    765.01   1.915   1000

in DMSO-d6