1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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6313-54-8

2-氯異煙酸(6313-54-8)核磁圖(1HNMR)

產(chǎn)品名稱:2-氯異煙酸

CAS:6313-54-8

分子式:C6H4ClNO2

分子量: 157.55

InChI:InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

InChIKey: QXCOHSRHFCHCHN-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-6990          
2-chloro-4-pyridinecarboxylic acid
C6H4ClNO2           (Mass of molecular ion:    157)


       Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          18.0       4.2
      28.0       1.5
      38.0       1.1
      39.0       1.6
      45.0       2.2
      49.0       1.3
      50.0       7.5
      51.0       7.4
      52.0       1.5
      56.0       1.8
      66.0       3.7
      75.0       1.3
      76.0       4.9
      77.0       1.6
      78.0       4.5
      85.0       5.4
      86.0       1.0
      87.0       1.9
      94.0       1.7
     104.0       2.1
     112.0      12.0
     113.0       1.0
     114.0       3.9
     122.0      29.9
     123.0       2.2
     128.0       1.0
     139.0       2.6
     140.0      16.0
     141.0       1.9
     142.0       5.2
     157.0     100.0
     158.0       7.3
     159.0      32.5
     160.0       2.4

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C6 H4 Cl N O2 0.039 g : 0.5 ml DMSO-d6
    2-chloro-4-pyridinecarboxylic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            14.
      B             8.631
      C             7.85
      D             7.84
  

         Hz     ppm     Int.


       3451.90   8.638    381
   3450.93   8.635    338
   3447.02   8.626    366
   3446.29   8.624    335
   3138.67   7.854    254
   3137.70   7.852    793
   3137.21   7.850    740
   3136.47   7.849   1000
   3135.50   7.846    210
   3131.59   7.836    410
   3130.37   7.833    268

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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