ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>16179-97-8更多图谱> 2-吡啶乙酸盐酸盐(16179-97-8)红外图谱(IR1)

16179-97-8

2-吡啶乙酸盐酸盐(16179-97-8)红外图谱(IR1)

分子式:C7H8ClNO2

分子量: 173.6

InChI:InChI=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

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

  • 图谱
    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

  • 图谱

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

  • 图谱

nujol mull

  • 图谱

  • 图谱

×