95-88-5

4-氯间苯二酚(95-88-5)红外图谱(IR1)

产品名称:4-氯间苯二酚

CAS:95-88-5

分子式:C6H5ClO2

分子量: 144.56

InChI:InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChIKey: JQVAPEJNIZULEK-UHFFFAOYSA-N

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

Mass

MS-NW-1188          
4-chlororesorcinol
C6H5ClO2            (Mass of molecular ion:    144)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.3
      26.0       3.5
      27.0       5.8
      28.0       5.3
      29.0       4.8
      32.0       1.0
      36.0       1.2
      37.0       5.3
      38.0       5.9
      39.0       6.5
      40.0       1.5
      41.0       2.2
      42.0       2.4
      43.0       3.4
      47.0       1.1
      49.0       2.5
      50.0       8.3
      51.0      26.7
      52.0      36.5
      53.0      13.7
      54.0       3.4
      55.0       3.6
      60.0       1.2
      61.0       4.2
      62.0       4.8
      63.0       9.2
      64.0       1.2
      65.0       1.1
      66.0       1.6
      67.0       1.0
      69.0      19.3
      72.0       4.8
      73.0       4.3
      74.0       1.5
      75.0       1.5
      77.0       1.0
      79.0       5.7
      80.0      21.5
      81.0      44.4
      82.0       2.7
      87.0       3.0
      88.0       1.3
      89.0       1.7
      98.0       1.7
     102.0       1.0
     109.0       2.2
     110.0       1.0
     115.0       6.6
     116.0       2.5
     117.0       2.1
     144.0     100.0
     145.0       7.1
     146.0      32.4
     147.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl O₂	0.041 g : 0.5 ml CDCl₃
4-chlororesorcinol

    Assign.     Shift(ppm)

      A             7.138
      B             6.53
      C             6.38
      D     *1      5.56
      E     *1      5.02
     
     J(A,C)=8.6HZ

     Hz     ppm     Int.

    646.50   7.219    124
    644.00   7.191    732
    635.50   7.096    912
    586.31   6.547    688
    583.63   6.517   1000
    578.94   6.465    152
    578.56   6.461    158
    576.31   6.435    620
    573.44   6.403    449
    570.50   6.371    135
    570.13   6.366    136
    567.69   6.339    458
    564.88   6.308    366
    497.81   5.559    904
    449.75   5.022    299

in CDCl3