1431-39-6

丹酰胺(1431-39-6)紅外圖譜(IR1)

產(chǎn)品名稱:丹酰胺

CAS:1431-39-6

分子式:C12H14N2O2S

分子量: 250.32

InChI:InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)

InChIKey: TYNBFJJKZPTRKS-UHFFFAOYSA-N

Smiles:C1(S(N)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1

Mass

MS-NW-2450          
5-dimethylamino-1-naphthalenesulfonamide
C12H14N2O2S         (Mass of molecular ion:    250)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       2.8
      17.0       1.0
      18.0       4.8
      28.0       3.0
      30.0       1.0
      39.0       2.5
      42.0       9.5
      44.0       6.1
      50.0       2.5
      51.0       4.2
      52.0       1.1
      55.0       1.0
      62.0       2.1
      63.0       8.0
      63.5       1.4
      64.0       4.8
      65.0       1.1
      70.0       1.4
      70.5       1.3
      71.5       2.5
      72.0       1.7
      74.0       4.0
      75.0       5.3
      76.0       4.1
      76.5       1.3
      77.0       7.4
      77.5       2.2
      78.0       1.4
      83.5       6.0
      84.0       2.4
      84.5       4.3
      85.0       3.6
      86.0       1.5
      87.0       2.8
      88.0       2.0
      89.0       2.3
      92.0       1.4
      98.0       1.2
      99.0       1.9
     100.0       1.8
     101.0       3.4
     102.0       2.6
     103.0       2.1
     113.0       3.5
     114.0       4.1
     115.0      11.7
     116.0       3.6
     117.0       1.9
     125.0       3.6
     126.0      10.9
     127.0      25.2
     128.0      10.4
     129.0       4.8
     130.0       7.7
     131.0       4.6
     139.0       2.0
     140.0       4.5
     141.0       3.3
     142.0       4.8
     143.0      14.4
     144.0       5.7
     145.0       1.0
     152.0       1.6
     153.0       4.9
     154.0      29.3
     155.0      14.7
     156.0       3.1
     157.0       2.0
     158.0       2.7
     159.0       1.9
     160.0       1.0
     166.0       1.0
     167.0       6.9
     168.0      82.6
     169.0      47.3
     170.0      21.7
     171.0      29.3
     172.0       3.9
     174.0       2.6
     183.0       1.3
     184.0       5.3
     185.0      14.3
     186.0       4.8
     203.0       1.2
     207.0       2.2
     249.0      14.7
     250.0     100.0
     251.0      15.1
     252.0       5.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₂ O₂ S	0.039 g : 0.5 ml DMSO-d₆
5-dimethylamino-1-naphthalenesulfonamide

    Assign.     Shift(ppm)

      A             8.428
      B             8.320
      C             8.152
      D             7.63
      E             7.617
      F             7.590
      G             7.242
      J             2.813
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   3373.05   8.441     63
   3364.62   8.419     68
   3329.59   8.332     71
   3320.92   8.310     77
   3262.33   8.163     67
   3261.23   8.161     73
   3255.13   8.145     78
   3253.91   8.142     77
   3051.15   7.635    194
   3045.04   7.620     80
   3043.82   7.617     82
   3041.63   7.611     68
   3036.50   7.598     68
   3034.06   7.592     76
   3032.96   7.590     71
   3025.39   7.571     64
   2897.58   7.251     78
   2890.63   7.233     67
   2890.01   7.232     68
   1124.27   2.814   1000

in DMSO-d6