2,4-二甲基-1-甲氧基苯(6738-23-4)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二甲基-1-甲氧基苯

CAS:6738-23-4

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3

InChIKey: UJCFZCTTZWHRNL-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(C)C=C1C

Mass

MS-NW-5642          
2,4-dimethylanisole
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      27.0       3.7
      28.0       1.0
      38.0       1.0
      39.0       7.7
      40.0       1.1
      41.0       3.4
      50.0       2.5
      51.0       6.3
      52.0       2.9
      53.0       3.9
      62.0       1.2
      63.0       3.8
      65.0       6.2
      66.0       1.1
      77.0      24.2
      78.0       6.3
      79.0       3.9
      89.0       1.1
      91.0      24.8
      92.0       3.5
      93.0       8.3
     103.0       3.9
     104.0       2.2
     105.0       9.6
     106.0       2.3
     107.0       1.1
     120.0       1.2
     121.0      72.9
     122.0       7.4
     135.0      13.8
     136.0     100.0
     137.0      10.0
     150.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
2,4-dimethylanisole

    Assign.     Shift(ppm)

      A             6.92
      B             6.92
      C             6.69
      D             3.762
      E     *1      2.239
      F     *1      2.181
     
     CALUCULATED BY LAOCN PROGRUM.

     Hz     ppm     Int.

    624.81   6.977     31
    624.19   6.970     37
    623.56   6.963     32
    621.94   6.945     48
    621.31   6.938     63
    620.56   6.929     67
    619.88   6.922     78
    619.19   6.914     93
    618.38   6.905     99
    617.63   6.897     93
    617.00   6.890     68
    615.38   6.872     32
    614.75   6.865     25
    602.50   6.728    115
    593.63   6.629     56
    336.94   3.763   1000
    200.56   2.240    503
    195.38   2.182    477

in CDCl3