591-31-1

3-甲氧基苯甲醛(591-31-1)核磁图(¹³CNMR)

产品名称:3-甲氧基苯甲醛

CAS:591-31-1

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3

InChIKey: WMPDAIZRQDCGFH-UHFFFAOYSA-N

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

Mass

MS-NW-0750          
m-methoxybenzaldehyde
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       1.0
      28.0       2.6
      29.0       2.3
      37.0       1.6
      38.0       4.5
      39.0      10.3
      50.0       6.8
      51.0       8.2
      52.0       1.2
      53.0       1.4
      61.0       1.3
      62.0       3.3
      63.0      10.4
      64.0      10.3
      65.0      16.4
      66.0       1.2
      74.0       3.1
      75.0       2.4
      76.0       4.3
      77.0      29.9
      78.0       7.7
      79.0       3.6
      92.0      14.7
      93.0       2.8
     105.0       3.1
     106.0       1.2
     107.0      33.7
     108.0       4.8
     135.0      88.0
     136.0     100.0
     137.0       9.0
     138.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
m-methoxybenzaldehyde

    Assign.     Shift(ppm)

      A             9.966
      B             7.44
      C             7.44
      D             7.37
      E             7.18
      F             3.852

     Hz     ppm     Int.

    892.52   9.966    390
    669.41   7.475    113
    668.98   7.470     97
    668.38   7.463    105
    665.65   7.433     83
    664.54   7.421    162
    663.51   7.409    175
    662.06   7.393     79
    660.86   7.379     86
    659.92   7.369     85
    658.98   7.358     43
    650.70   7.266     23
    647.19   7.227     72
    644.46   7.196     49
    643.09   7.181     43
    641.98   7.169     33
    639.59   7.142     38
    638.31   7.128     27
    635.14   7.092     25
    344.96   3.852   1000

in CDCl3