1121-76-2

4-氯吡啶 N-氧化物(1121-76-2)核磁图(¹³CNMR)

产品名称:4-氯吡啶 N-氧化物

CAS:1121-76-2

分子式:C5H4ClNO

分子量: 129.54

InChI:InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H

InChIKey: DPJVRASYWYOFSJ-UHFFFAOYSA-N

Smiles:C1[N+]([O-])=CC=C(Cl)C=1

Mass

MS-IW-9733          
4-chloropyridine 1-oxide
C5H4ClNO            (Mass of molecular ion:    129)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      26.0       1.1
      28.0       3.2
      29.0       1.6
      30.0       1.1
      37.0       3.1
      38.0       7.9
      39.0      18.1
      40.0       1.1
      41.0       1.5
      49.0       3.1
      50.0       6.8
      51.0       8.1
      52.0       1.2
      60.0       1.1
      61.0       2.8
      62.0       4.7
      63.0       6.9
      64.0       2.3
      64.5       7.5
      65.0       1.6
      65.5       2.4
      66.0       6.0
      67.0       7.8
      72.0       1.1
      73.0      14.9
      74.0       5.4
      75.0       6.1
      76.0       7.8
      78.0       7.0
      85.0       1.1
      94.0       1.8
     100.0       2.3
     102.0       9.4
     104.0       2.8
     112.0       5.1
     113.0       6.0
     114.0       2.0
     115.0       1.9
     128.0       1.5
     129.0     100.0
     130.0       6.8
     131.0      32.6
     132.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₄ Cl N O	0.041 g : 0.5 ml DMSO-d₆
4-chloropyridine 1-oxide

    Assign.     Shift(ppm)

      A             8.283
      B             7.587

     Hz     ppm     Int.

   3316.04   8.298    110
   3312.87   8.290    875
   3310.91   8.285    383
   3307.62   8.277    368
   3305.66   8.272    933
   3302.49   8.264    113
   3039.06   7.605    120
   3035.89   7.597   1000
   3033.69   7.591    408
   3030.52   7.583    380
   3028.44   7.578    935
   3025.27   7.570    108

in DMSO-d6