6313-54-8

2-Chloro-4-pyridinecarboxylic acid(6313-54-8) ¹³C NMR

Product Name2-Chloro-4-pyridinecarboxylic acid

CAS 6313-54-8

Molecular FormulaC6H4ClNO2

Molecular Weight157.55

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

InChIKey QXCOHSRHFCHCHN-UHFFFAOYSA-N

SmilesC1(Cl)=NC=CC(C(O)=O)=C1

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2-Chloro-4-pyridinecarboxylic acid(6313-54-8) <sup>13</sup>C NMR
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

2-Chloro-4-pyridinecarboxylic acid(6313-54-8) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₆ H₄ Cl N O₂	0.039 g : 0.5 ml DMSO-d₆
2-chloro-4-pyridinecarboxylic acid

    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