2-Pyridylacetic acid hydrochloride(16179-97-8) IR2

Product Name2-Pyridylacetic acid hydrochloride

CAS 16179-97-8

Molecular FormulaC7H8ClNO2

Molecular Weight173.6

InChIInChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H

InChIKey MQVISALTZUNQSK-UHFFFAOYSA-N

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

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Mass

MS-NW-6783          
2-pyridineacetic acid hydrochloride
C7H7NO2 HCl         (Mass of molecular ion:    137)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.4
      26.0       2.2
      27.0       3.0
      28.0       3.3
      35.0       4.0
      36.0      33.1
      37.0       2.3
      38.0      11.2
      39.0      15.9
      40.0       5.0
      41.0       2.7
      42.0       1.4
      44.0      23.9
      45.0       2.0
      46.0       1.2
      46.5       1.4
      50.0       5.0
      51.0       9.3
      52.0       5.7
      53.0       3.9
      54.0       1.6
      61.0       1.2
      62.0       2.1
      63.0       5.0
      64.0       4.3
      65.0      20.7
      66.0      27.9
      67.0       6.6
      78.0      11.1
      91.0       2.4
      92.0      21.8
      93.0     100.0
      94.0       7.5
     137.0       2.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N O₂	0.040 g : 0.5 ml DMSO-d₆
2-pyridineacetic acid hydrochloride

    Assign.     Shift(ppm)

      A            12.
      B             8.902
      C             8.581
      D             8.062
      E             7.992
      F             4.312

     Hz     ppm     Int.

   3561.49   8.912    170
   3560.57   8.910    182
   3560.02   8.908    160
   3556.36   8.899    167
   3555.81   8.898    184
   3554.90   8.896    183
   3554.16   8.894    163
   3438.58   8.604    113
   3437.12   8.601    116
   3430.71   8.585    223
   3429.24   8.581    224
   3422.83   8.565    139
   3421.37   8.561    134
   3226.11   8.073    223
   3218.24   8.053    209
   3201.38   8.011    131
   3200.10   8.008    125
   3195.52   7.996    130
   3194.24   7.993    169
   3193.87   7.992    168
   3192.41   7.989    126
   3187.83   7.977    128
   3186.73   7.974    116
   1723.41   4.313   1000

KBr disc