94-63-3

碘解磷定(94-63-3)红外图谱(IR1)

产品名称:碘解磷定

CAS:94-63-3

分子式:C7H9IN2O

分子量: 264.06

InChI:InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H

InChIKey: QNBVYCDYFJUNLO-UHFFFAOYSA-N

Smiles:C1(/C=N/O)C=CC=C[N+]=1C.[I-]

Mass

MS-IW-5402          
2-hydroxyiminomethyl-1-methylpyridinium iodide
C6H6N2O CH3I        (Mass of molecular ion:    264)

   Source Temperature: 190 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0      11.0
      17.0       2.0
      18.0      10.4
      26.0       3.2
      27.0       3.2
      28.0       3.9
      37.0       1.2
      38.0       1.8
      39.0       2.3
      44.0       2.1
      49.0       1.6
      50.0      10.7
      51.0      12.9
      52.0      13.9
      53.0       4.2
      64.0       2.7
      65.0       3.3
      75.0       3.3
      76.0       7.6
      77.0      33.0
      78.0      14.1
      79.0      25.5
      80.0       2.1
      92.0       1.5
     103.0       2.5
     104.0      75.2
     105.0       6.2
     109.0       2.5
     122.0      14.0
     123.0       1.2
     127.0      26.2
     128.0       6.6
     139.0       4.0
     140.0       3.8
     141.0      13.6
     142.0     100.0
     143.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ I N₂ O	0.039 g : 0.5 ml DMSO-d₆
2-hydroxyiminomethyl-1-methylpyridinium iodide

    Assign.     Shift(ppm)

      A            13.1
      B             9.030
      C             8.692
      D             8.563
      E             8.403
      F             8.097
      G             4.402

     Hz     ppm     Int.

   5237.46  13.106    368
   3612.41   9.039    110
   3611.68   9.038    108
   3606.18   9.024    114
   3605.63   9.022    110
   3474.12   8.693    369
   3431.07   8.586     48
   3430.71   8.585     48
   3430.34   8.584     48
   3423.02   8.566    110
   3422.65   8.565    110
   3415.32   8.546     69
   3362.94   8.415    121
   3361.47   8.412    128
   3354.69   8.395    101
   3353.41   8.391     96
   3243.70   8.117     70
   3242.23   8.113     67
   3237.47   8.101     73
   3236.00   8.098    126
   3234.54   8.094     66
   3229.96   8.082     64
   3228.31   8.078     60
   1759.50   4.403   1000

in DMSO-d6