4463-33-6

2,3-二甲氧基甲苯(4463-33-6)质谱(MS)

产品名称:2,3-二甲氧基甲苯

CAS:4463-33-6

分子式:C9H12O2

分子量: 152.19

InChI:InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3

InChIKey: WMXFNCKPYCAIQW-UHFFFAOYSA-N

Smiles:C1(OC)=CC=CC(C)=C1OC

Mass

MS-NW-6462          
3-methylveratrole
C9H12O2             (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       4.4
      27.0       2.5
      28.0       2.6
      29.0       1.1
      31.0       1.2
      38.0       2.3
      39.0      12.6
      40.0       4.2
      41.0       3.9
      43.0       1.7
      50.0       2.9
      51.0       7.1
      52.0       3.3
      53.0       5.1
      55.0       1.8
      62.0       1.3
      63.0       3.4
      64.0       1.4
      65.0      12.4
      66.0      13.2
      67.0       1.2
      77.0      15.8
      78.0       5.1
      79.0      11.7
      80.0       1.0
      81.0       8.8
      89.0       1.3
      90.0       1.0
      91.0      18.0
      92.0       1.8
      93.0       2.2
      94.0      13.4
      95.0       1.2
     105.0       2.3
     106.0       1.5
     107.0       5.2
     108.0       1.1
     109.0      39.3
     110.0       3.3
     121.0       1.1
     122.0       4.1
     135.0       1.4
     136.0       2.2
     137.0      51.5
     138.0       5.1
     152.0     100.0
     153.0      10.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
3-methylveratrole

    Assign.     Shift(ppm)

      A             6.930
      B             6.75
      C             6.74
      D     *1      3.823
      E     *1      3.789
      F             2.265

     Hz     ppm     Int.

   2778.44   6.953     86
   2770.51   6.933    187
   2762.70   6.913    127
   2702.15   6.762    128
   2701.66   6.761    113
   2698.49   6.753    134
   2696.78   6.748     91
   2696.04   6.747     89
   2695.19   6.744     94
   2694.46   6.743    101
   2693.85   6.741     87
   2690.43   6.732    100
   1528.08   3.824    897
   1514.53   3.790   1000
    905.15   2.265    693

in CDCl3