4919-37-3

4-羟基-3,5-二甲基苯甲酸(4919-37-3)红外图谱(IR2)

产品名称:4-羟基-3,5-二甲基苯甲酸

CAS:4919-37-3

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)

InChIKey: OMNHTTWQSSUZHO-UHFFFAOYSA-N

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

Mass

MS-KW-0187          
4-hydroxy-3,5-dimethylbenzoic acid
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.5
      27.0       2.2
      28.0       1.9
      39.0       5.0
      41.0       2.3
      43.0       3.9
      44.0       2.0
      45.0       2.2
      50.0       1.5
      51.0       4.6
      52.0       1.5
      53.0       4.0
      55.0       1.5
      62.0       1.0
      63.0       2.5
      65.0       4.7
      66.0       1.1
      67.0       1.8
      69.0       4.0
      74.0       1.9
      77.0      12.8
      78.0       2.7
      79.0       2.3
      91.0      11.4
      92.0       1.6
      93.0       4.3
      94.0       1.0
     103.0       4.2
     104.0       1.4
     105.0       1.0
     107.0       7.8
     119.0       1.7
     120.0       3.2
     121.0      60.6
     122.0       9.5
     123.0       1.2
     148.0       2.6
     149.0      48.2
     150.0       5.2
     151.0       5.5
     165.0       8.4
     166.0     100.0
     167.0      10.1
     168.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.037 g : 0.5 ml DMSO-d₆
4-hydroxy-3,5-dimethylbenzoic acid

    Assign.     Shift(ppm)

      A            12.3
      B             9.03
      C             7.574
      D             2.215

     Hz     ppm     Int.

   3608.20   9.029     28
   3027.01   7.575    315
    885.24   2.216   1000

in DMSO-d6

KBr disk

Nujol

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