7310-95-4

2,6-二甲酰-4-甲基苯酚(7310-95-4)Raman光谱

产品名称:2,6-二甲酰-4-甲基苯酚

CAS:7310-95-4

分子式:C9H8O3

分子量: 164.16

InChI:InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3

InChIKey: ZBOUXALQDLLARY-UHFFFAOYSA-N

Smiles:C1(C=O)=CC(C)=CC(C=O)=C1O

Mass

MS-NW-9461          
2-hydroxy-5-methylisophthalaldehyde
C9H8O3              (Mass of molecular ion:    164)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.6
      27.0       5.3
      28.0       1.9
      29.0       3.0
      38.0       1.6
      39.0       8.4
      40.0       1.1
      43.0       1.7
      45.0       1.4
      50.0       4.7
      51.0      11.0
      52.0       4.5
      53.0      10.2
      54.0       1.6
      55.0       3.6
      59.0       2.3
      62.0       2.5
      63.0       5.9
      64.0       2.1
      65.0       2.4
      66.0       1.1
      67.0       1.3
      68.0       1.8
      74.0       1.5
      75.0       1.2
      77.0      23.2
      78.0       5.0
      79.0      18.4
      80.0       3.1
      81.0       1.0
      82.0       1.5
      89.0      11.5
      90.0      23.4
      91.0       3.8
     105.0       2.5
     106.0       1.3
     107.0      23.5
     108.0       2.8
     118.0       4.7
     119.0       1.6
     133.0       1.8
     135.0      42.0
     136.0     100.0
     137.0       8.6
     161.0       4.7
     163.0       7.9
     164.0      70.2
     165.0       8.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₈ O₃	0.026 g : 0.5 ml CDCl₃
2-hydroxy-5-methylisophthalaldehyde

    Assign.     Shift(ppm)

      A            11.46
      B            10.213
      C             7.769
      D             2.389

     Hz     ppm     Int.

   4580.08  11.461    489
   4081.87  10.214    180
   3105.22   7.770    378
    955.03   2.390   1000

in CDCl3

KBr disc

nujol mull

更多供应商

烟台博运生物科技有限公司黄金产品

Clearsynth Labs Limited

武汉凯威斯科技有限公司