3260-88-6

3-氯-2-甲基苯甲醚(3260-88-6)質(zhì)譜(MS)

產(chǎn)品名稱:3-氯-2-甲基苯甲醚

CAS:3260-88-6

分子式:C8H9ClO

分子量: 156.61

InChI:InChI=1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3

InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0406          
3-chloro-2-methylanisole
C8H9ClO             (Mass of molecular ion:    156)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0       1.9
      28.0       1.0
      38.0       2.5
      39.0       6.2
      43.0       1.0
      50.0       6.2
      51.0      17.5
      52.0       5.3
      53.0       1.8
      61.0       1.5
      62.0       3.0
      63.0       7.6
      64.0       1.2
      65.0       3.5
      73.0       2.6
      74.0       2.3
      75.0       3.8
      76.0       1.4
      77.0      50.1
      78.0      11.7
      79.0       1.3
      86.0       1.0
      87.0       1.6
      89.0      13.4
      90.0       5.0
      91.0      43.6
      92.0       3.6
      93.0       5.7
      99.0       2.6
     105.0       2.7
     106.0       1.4
     112.0       1.8
     113.0       4.6
     115.0       1.5
     121.0      56.8
     122.0       5.3
     124.0       4.5
     125.0      13.7
     126.0       3.4
     127.0       5.3
     141.0      39.1
     142.0       3.5
     143.0      12.7
     144.0       1.0
     152.0       1.1
     155.0       6.7
     156.0     100.0
     157.0      11.0
     158.0      31.7
     159.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈H₉ClO	0.05 ml : 0.5 ml CDCl₃
3-chloro-2-methylanisole

    Assign.     Shift(ppm)

     A           7.035
     B           6.947
     C           6.693
     D           3.779
     E           2.261

     Hz     ppm     Int.

   2821.54   7.058     65
   2821.05   7.057     62
   2813.48   7.038    156
   2812.99   7.037    147
   2805.30   7.018    107
   2804.81   7.016    101
   2780.77   6.956    151
   2779.67   6.953    155
   2772.59   6.936    102
   2771.49   6.933     98
   2679.57   6.703    126
   2671.03   6.682    111
   1514.17   3.788     78
   1510.50   3.779   1000
   1505.01   3.765     20
    903.69   2.261    790

in CDCl3