19438-10-9

3-羟基苯甲酸甲酯(19438-10-9)红外图谱(IR1)

产品名称:3-羟基苯甲酸甲酯

CAS:19438-10-9

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3

InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N

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

Mass

MS-NW-1553          
methyl m-hydroxybenzoate
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.6
      27.0       1.0
      29.0       2.7
      37.0       1.8
      38.0       5.7
      39.0      22.5
      50.0       2.7
      51.0       1.9
      53.0       4.5
      59.0       1.1
      61.0       1.8
      62.0       4.2
      63.0      11.6
      64.0       6.9
      65.0      33.2
      66.0       3.1
      74.0       1.6
      75.0       1.2
      92.0       4.8
      93.0      41.8
      94.0       4.8
      95.0       1.5
     107.0       1.4
     121.0     100.0
     122.0       8.3
     123.0       1.0
     152.0      49.2
     153.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₃	0.041 g : 0.5 ml CDCl₃
methyl m-hydroxybenzoate

    Assign.     Shift(ppm)

      A             7.61
      B             7.60
      C             7.300
      D             7.089
      E             6.31
      F             3.918

     Hz     ppm     Int.

    684.63   7.645     75
    683.69   7.634     98
    682.06   7.616     81
    681.25   7.607     88
    679.63   7.589     84
    678.31   7.574     75
    676.88   7.558    111
    675.38   7.542     43
    662.06   7.393     63
    654.06   7.304    127
    646.25   7.216     72
    639.31   7.139     57
    637.81   7.122     64
    636.81   7.111     54
    635.38   7.095     53
    567.06   6.332     43
    564.31   6.301     83
    350.88   3.918   1000

in CDCl3