59-85-8

对氯汞苯甲酸(59-85-8)核磁图(¹HNMR)

产品名称:对氯汞苯甲酸

CAS:59-85-8

分子式:C7H5ClHgO2

分子量: 357.16

InChI:InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1

InChIKey: YFZOUMNUDGGHIW-UHFFFAOYSA-M

Smiles:C1(C(=O)O)C=CC([Hg]Cl)=CC=1

Mass

MS-NW-2092          
p-(chloromercurio)benzoic acid
C7H5ClHgO2          (Mass of molecular ion:    358)

   Source Temperature: 230 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      18.0       3.1
      27.0       1.1
      28.0       2.7
      35.0       2.0
      36.0      17.4
      37.0       1.7
      38.0       5.7
      39.0       6.4
      44.0       3.9
      45.0       1.4
      49.0       1.3
      50.0      17.1
      51.0       9.3
      53.0       1.5
      63.0       1.0
      65.0      24.5
      66.0       1.4
      73.0       1.7
      74.0       7.6
      75.0      12.0
      76.0      20.4
      77.0       6.8
      78.0       1.2
      93.0       2.1
     103.0       1.9
     104.0     100.0
     105.0      12.9
     111.0       6.4
     113.0       2.0
     121.0       6.4
     122.0       5.7
     139.0       1.5
     198.0       1.9
     199.0       3.4
     200.0       4.6
     201.0       2.6
     202.0       5.7
     204.0       1.4
     354.0       3.4
     355.0       5.8
     356.0       9.2
     357.0       6.7
     358.0      12.5
     359.0       2.4
     360.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ Cl Hg O₂	0.055 g : 0.5 ml DMSO-d₆
p-(chloromercurio)benzoic acid

    Assign.     Shift(ppm)

      A             7.867
      B             7.602

     Hz     ppm     Int.

   3148.93   7.880    829
   3142.33   7.863    357
   3140.63   7.859   1000
   3042.48   7.613    936
   3034.18   7.593    869

KBr disc

nujol mull

career henan chemical co

Carbosynth

Hubei xin bonus chemical co. LTD

对氯汞苯甲酸(59-85-8)核磁图(1HNMR)

对氯汞苯甲酸(59-85-8)核磁图(¹HNMR)