4272-77-9

5-二甲氨基-1-萘磺酸(4272-77-9)红外图谱(IR2)

产品名称:5-二甲氨基-1-萘磺酸

CAS:4272-77-9

分子式:C12H13NO3S

分子量: 251.3

InChI:InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)

InChIKey: BBEQQKBWUHCIOU-UHFFFAOYSA-N

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

Mass

MS-IW-3871          
5-dimethylamino-1-naphthalenesulfonic acid
C12H13NO3S H2O      (Mass of molecular ion:    251)

   Source Temperature: 180 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      15.0       1.2
      17.0       1.3
      18.0       5.7
      28.0       2.3
      30.0       1.0
      39.0       2.5
      42.0       7.1
      43.0       1.2
      44.0       4.9
      48.0       1.9
      50.0       2.4
      51.0       4.1
      52.0       1.0
      55.0       1.0
      62.0       1.9
      63.0       7.6
      63.5       1.4
      64.0       5.8
      65.0       2.1
      70.5       1.5
      71.5       1.2
      72.0       1.0
      74.0       3.4
      75.0       4.7
      76.0       3.8
      76.5       2.0
      77.0       8.7
      77.5       2.5
      78.0       1.4
      83.5       5.3
      84.0       1.7
      84.5       2.1
      85.0       1.1
      86.0       1.4
      87.0       2.4
      88.0       2.3
      89.0       2.5
      98.0       1.0
      99.0       1.6
     100.0       1.3
     101.0       3.0
     102.0       2.6
     103.0       2.7
     113.0       3.5
     114.0       4.7
     115.0      15.8
     116.0       4.0
     117.0       1.3
     125.0       1.4
     125.5       1.5
     126.0       8.7
     127.0      19.3
     128.0       9.8
     129.0       4.3
     130.0       2.5
     131.0       2.9
     139.0       1.8
     140.0       3.5
     141.0       3.4
     142.0       2.2
     143.0       3.0
     144.0       3.7
     152.0       1.3
     153.0       5.0
     154.0      26.1
     155.0      14.3
     156.0       6.2
     157.0       3.7
     158.0       1.4
     167.0       5.2
     168.0      51.0
     169.0      41.2
     170.0      14.3
     171.0       6.1
     172.0       1.8
     184.0       3.8
     185.0       2.2
     186.0       1.7
     203.0       1.1
     208.0       7.5
     221.0       1.0
     223.0       2.5
     235.0       1.3
     236.0       2.8
     237.0      26.0
     238.0       3.6
     239.0       1.5
     250.0      40.3
     251.0     100.0
     252.0      15.8
     253.0       6.0
     265.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₃ N O₃ S	0.033 g : 0.5 ml DMSO-d₆
5-dimethylamino-1-naphthalenesulfonic acid

    Assign.     Shift(ppm)

      A             8.999
      B             8.236
      C             8.094
      D             7.926
      E             7.658
      F             7.648
      G             3.326
     
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   3601.07   9.011     89
   3592.38   8.989     95
   3296.05   8.248     83
   3287.51   8.226     91
   3239.29   8.106    116
   3232.12   8.088    133
   3231.20   8.086    122
   3171.84   7.937     71
   3164.22   7.918     82
   3068.54   7.679     77
   3064.58   7.669     86
   3061.22   7.660     97
   3059.84   7.657     93
   3056.64   7.649    111
   3055.88   7.647    104
   3052.67   7.639     80
   3048.10   7.627     75
   1329.19   3.326   1000

in DMSO-d6