3438-16-2

5-氯-2-甲氧基苯甲酸(3438-16-2)核磁图(¹³CNMR)

产品名称:5-氯-2-甲氧基苯甲酸

CAS:3438-16-2

分子式:C8H7ClO3

分子量: 186.59

InChI:InChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey: HULDRQRKKXRXBI-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(Cl)=CC=C1OC

Mass

MS-KW-0172          
5-chloro-2-methoxybenzoic acid
C8H7ClO3            (Mass of molecular ion:    186)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.8
      18.0       3.4
      28.0       4.9
      29.0       2.0
      31.0       2.9
      36.0       2.1
      37.0       3.7
      38.0       4.7
      39.0       4.0
      44.0       1.3
      45.0       3.9
      47.0       1.7
      49.0       2.3
      50.0       9.2
      51.0      12.9
      52.0       2.1
      53.0       5.9
      55.0       1.3
      60.0       1.0
      61.0       5.7
      62.0      10.3
      63.0      32.2
      64.0       3.7
      65.0       2.1
      72.0       2.1
      73.0      11.0
      74.0       9.7
      75.0      21.0
      76.0       4.7
      77.0      37.2
      78.0       3.3
      79.0       5.8
      80.0       1.1
      84.0       1.4
      85.0       1.6
      87.0       3.1
      89.0       2.2
      91.0       2.5
      92.0       1.3
      93.0       1.4
      97.0       1.9
      98.0       9.6
      99.0      17.8
     100.0       4.0
     101.0       5.9
     105.0       2.3
     107.0       1.7
     108.0       2.3
     110.0       6.3
     111.0      23.6
     112.0       6.9
     113.0      35.0
     114.0       3.6
     115.0      22.0
     116.0       1.5
     117.0       4.7
     124.0       1.0
     126.0      26.5
     127.0      12.8
     128.0      10.7
     129.0       4.2
     133.0      11.7
     134.0       1.5
     136.0       1.1
     138.0       2.5
     139.0      88.3
     140.0      17.5
     141.0      36.1
     142.0       6.9
     143.0       7.1
     145.0       1.6
     151.0       1.5
     154.0      13.9
     155.0       6.3
     156.0       9.5
     157.0      64.7
     158.0       6.9
     159.0      20.8
     160.0       1.6
     167.0      12.9
     168.0       8.6
     169.0      33.5
     170.0       5.7
     171.0      12.3
     172.0       1.2
     186.0     100.0
     187.0       9.2
     188.0      32.4
     189.0       3.2
     200.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl O₃	0.036 g : 0.5 ml CDCl₃
5-chloro-2-methoxybenzoic acid

    Assign.     Shift(ppm)

      A            10.6
      B             8.081
      C             7.515
      D             7.027
      E             4.069

     Hz     ppm     Int.

   3231.05   8.085    213
   3228.30   8.078    208
   3009.64   7.531    130
   3006.90   7.524    128
   3000.79   7.509    144
   2998.05   7.502    141
   2812.65   7.038    181
   2803.80   7.016    164
   1626.28   4.070   1000

in CDCl3