56363-84-9

2-氯-4-羟基苯甲酸(56363-84-9)质谱(MS)

产品名称:2-氯-4-羟基苯甲酸

CAS:56363-84-9

分子式:C7H5ClO3

分子量: 172.57

InChI:InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)

InChIKey: WIPYZRZPNMUSER-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(O)C=C1Cl

Mass

MS-IW-3862          
2-chloro-4-hydroxybenzoic acid
C7H5ClO3            (Mass of molecular ion:    172)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.5
      28.0       1.4
      36.0       1.0
      37.0       2.4
      38.0       2.6
      39.0       3.7
      45.0       1.8
      49.0       1.4
      50.0       2.0
      51.0       2.7
      52.0       1.5
      53.0       4.0
      61.0       3.2
      62.0       5.6
      63.0      13.1
      64.0       3.2
      65.0       2.4
      69.0       1.0
      72.0       5.3
      73.0       8.1
      74.0       2.0
      75.0       2.6
      77.5       1.3
      80.0       1.2
      81.0       1.3
      92.0       2.1
      99.0      12.8
     100.0       1.0
     101.0       4.1
     121.0       1.3
     126.0       1.2
     127.0      10.3
     128.0       1.8
     129.0       3.4
     138.0       1.0
     144.0       1.2
     155.0     100.0
     156.0       8.0
     157.0      33.1
     158.0       2.6
     172.0      71.5
     173.0       6.4
     174.0      23.5
     175.0       2.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ Cl O₃	0.031 g : 0.5 ml DMSO-d₆
2-chloro-4-hydroxybenzoic acid

    Assign.     Shift(ppm)

      B             7.779
      C             6.897
      D             6.807
     
     J(B,D) = 8.6 HZ
     J(C,D) = 2.4 HZ

     Hz     ppm     Int.

   3113.65   7.791    859
   3109.07   7.780     22
   3108.15   7.778     29
   3105.04   7.770    918
   2757.75   6.901    872
   2755.37   6.895   1000
   2726.07   6.822    515
   2723.69   6.816    446
   2717.46   6.800    497
   2715.08   6.794    458

in DMSO-d6