1,3-苯二甲胺(1477-55-0)質(zhì)譜(MS)

產(chǎn)品名稱:1,3-苯二甲胺

CAS:1477-55-0

分子式:C8H12N2

分子量: 136.19

InChI:InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2

InChIKey: FDLQZKYLHJJBHD-UHFFFAOYSA-N

Smiles:C1(CN)=CC=CC(CN)=C1

Mass

MS-NW-1048          
alpha,alpha'-diamino-m-xylene
C8H12N2             (Mass of molecular ion:    136)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      17.0       1.1
      18.0       5.4
      27.0       1.6
      28.0      20.4
      29.0       2.6
      30.0      35.2
      38.0       1.0
      39.0       4.5
      41.0       1.6
      42.0       1.2
      44.0       2.4
      45.0      13.4
      50.0       2.8
      51.0       5.8
      52.0       2.6
      53.0       1.6
      54.0       1.6
      62.0       1.1
      63.0       3.1
      64.0       1.0
      65.0       4.6
      66.0       1.3
      67.0       1.8
      74.0       1.0
      75.0       1.0
      76.0       1.4
      77.0      10.5
      78.0       3.8
      79.0      12.8
      80.0       2.5
      89.0       4.6
      90.0      11.3
      91.0      34.8
      92.0      17.6
      93.0       3.1
     103.0       1.6
     104.0       4.6
     105.0       2.2
     106.0     100.0
     107.0      10.4
     108.0       2.9
     117.0       5.6
     118.0      54.7
     119.0      33.8
     120.0       7.3
     133.0       2.0
     134.0       1.3
     135.0       9.4
     136.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₂ N₂	0.04 ml : 0.5 ml CDCl₃
alpha,alpha'-diamino-m-xylene

    Assign.     Shift(ppm)

      A          7.43 to 7.08
      B             3.865
      C             1.51

     Hz     ppm     Int.

    653.44   7.297     85
    653.06   7.292     84
    651.75   7.278    104
    651.19   7.271     99
    649.31   7.251    213
    648.25   7.239     73
    646.63   7.221    185
    646.31   7.217    185
    643.69   7.188     42
    642.38   7.173     35
    641.81   7.167     38
    641.25   7.161     33
    640.63   7.154     33
    640.13   7.148     31
    346.19   3.866    725
    135.50   1.513   1000

in CDCl3