626-60-8

3-氯吡啶(626-60-8)質(zhì)譜(MS)

產(chǎn)品名稱:3-氯吡啶

CAS:626-60-8

分子式:C5H4ClN

分子量: 113.54

InChI:InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H

InChIKey: PWRBCZZQRRPXAB-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1Cl

Mass

MS-NW-1483          
3-chloropyridine
C5H4ClN             (Mass of molecular ion:    113)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       2.3
      25.0       1.0
      26.0       3.6
      27.0       1.9
      28.0       2.9
      37.0       3.1
      38.0       3.6
      38.5       1.8
      39.0       2.2
      48.0       1.0
      49.0       6.3
      50.0      23.7
      51.0      44.4
      52.0       5.8
      60.0       5.3
      62.0       2.2
      73.0       1.6
      75.0       2.7
      76.0       5.2
      77.0       4.8
      78.0      68.9
      79.0       4.4
      84.0       1.1
      85.0       3.1
      86.0       9.2
      87.0       2.0
      88.0       3.0
     112.0       1.7
     113.0     100.0
     114.0       7.1
     115.0      31.7
     116.0       2.1

parameter in DMSO-d6

¹H NMR	300 MHz
C₅ H₄ Cl N	30 % in DMSO
3-chloropyridine

    Parameter     ppm  Hz

      D(A)         8.79
      D(B)         7.99
      D(C)         7.57
      D(D)         8.68
       J(A,B)          2.5
       J(A,C)          0.8
       J(A,D)          0.3
       J(B,C)          8.2
       J(B,D)          1.5
       J(C,D)          4.8
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     J(A,D) LESS THAN 0.3HZ.

     Hz     ppm     Int.

   2638.01   8.793    983
   2636.01   8.787   1000
   2607.15   8.690    738
   2605.70   8.686    763
   2602.36   8.675    774
   2600.91   8.670    772
   2403.21   8.011    403
   2401.69   8.006    465
   2400.76   8.003    463
   2399.24   7.997    399
   2395.02   7.983    465
   2393.50   7.978    528
   2392.57   7.975    525
   2391.05   7.970    444
   2277.68   7.592    523
   2277.03   7.590    524
   2272.88   7.576    522
   2272.23   7.574    525
   2269.48   7.565    479
   2268.83   7.563    473
   2264.68   7.549    450
   2264.04   7.547    446

CCl4 solution