5779-94-2

2,5-二甲基苯甲醛(5779-94-2)核磁图(¹HNMR)

产品名称:2,5-二甲基苯甲醛

CAS:5779-94-2

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3

InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N

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

Mass

MS-NW-5886          
2,5-dimethylbenzaldehyde
C9H10O              (Mass of molecular ion:    134)

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

      27.0       7.0
      29.0       1.6
      38.0       1.6
      39.0       9.8
      40.0       1.0
      41.0       1.7
      50.0       5.1
      51.0      11.9
      52.0       3.5
      53.0       4.7
      62.0       2.2
      63.0       5.9
      64.0       1.4
      65.0       5.7
      66.0       1.6
      67.0       1.7
      74.0       2.0
      75.0       1.6
      76.0       1.1
      77.0      21.5
      78.0       6.4
      79.0      15.8
      80.0       1.2
      89.0       2.0
      91.0      21.7
      92.0       1.8
     102.0       1.7
     103.0      10.1
     104.0       5.5
     105.0      71.5
     106.0       9.6
     107.0       1.8
     119.0       2.1
     122.0       1.8
     132.0       2.0
     133.0      86.6
     134.0     100.0
     135.0      10.2
     150.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
2,5-dimethylbenzaldehyde

    Assign.     Shift(ppm)

      A            10.204
      B             7.574
      C             7.261
      D             7.119
      E             2.595
      F             2.355

     Hz     ppm     Int.

   4078.22  10.205    753
   3028.11   7.577    227
   3026.43   7.573    227
   2906.95   7.274    115
   2905.27   7.270    112
   2899.17   7.255    144
   2897.49   7.251    140
   2848.82   7.129    224
   2841.03   7.109    173
   1037.14   2.596   1000
    941.16   2.355    954

in CDCl3