5626-90-4

鄰乙酰胺基-N-乙?；交酋０?5626-90-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:鄰乙酰胺基-N-乙?；交酋０?/a>

CAS:5626-90-4

分子式:C10H12N2O4S

分子量: 256.28

InChI:InChI=1S/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey: YTJJPFRVBNFIBN-UHFFFAOYSA-N

Smiles:C(NS(C1=CC=C(NC(C)=O)C=C1)(=O)=O)(=O)C

Mass

MS-NW-7027          
N,N'-diacetylsulfanilamide
C10H12N2O4S         (Mass of molecular ion:    256)

   Source Temperature: 220 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       6.2
      18.0       1.7
      28.0       1.8
      38.0       2.3
      39.0       6.6
      40.0       1.1
      41.0       2.6
      42.0       6.8
      43.0     100.0
      44.0       2.7
      50.0       2.1
      51.0       1.8
      52.0       3.0
      53.0       2.2
      62.0       1.8
      63.0       7.8
      64.0       7.3
      65.0      25.7
      66.0       3.0
      75.0       1.3
      76.0       1.8
      77.0       1.6
      78.0       1.3
      79.0       2.0
      80.0       4.0
      81.0       1.5
      90.0       2.6
      91.0      10.2
      92.0      27.2
      93.0       6.6
     104.0       1.1
     105.0       1.4
     106.0       2.3
     107.0       5.0
     108.0      20.8
     109.0      83.2
     110.0       6.3
     134.0      10.0
     135.0       2.0
     140.0       3.4
     150.0       2.4
     151.0      72.6
     152.0       6.9
     155.0       2.9
     156.0      29.7
     157.0       2.7
     158.0       1.7
     172.0      19.5
     173.0       5.8
     174.0       1.4
     192.0       5.2
     198.0       4.0
     214.0       4.6
     256.0       9.0
     257.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₂ N₂ O₄ S	0.040 g : 0.5 ml DMSO-d₆
N,N'-diacetylsulfanilamide

    Assign.     Shift(ppm)

      A     *1     12.0
      B     *1     10.4
      C             7.859
      D             7.800
      E     *2      2.106
      F     *2      1.924

     Hz     ppm     Int.

   4795.48  12.000     33
   4159.89  10.409    134
   3149.36   7.881     24
   3147.17   7.875    169
   3145.15   7.870     67
   3140.21   7.858     88
   3138.19   7.853    351
   3135.99   7.847     64
   3123.17   7.815     60
   3120.97   7.810    314
   3118.96   7.805     89
   3114.01   7.792     62
   3112.00   7.787    160
    841.83   2.107    871
    769.30   1.925   1000

in DMSO-d6