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6973-60-0

N-甲基-2-吡咯羧酸(6973-60-0)紅外圖譜(IR2)

產(chǎn)品名稱:N-甲基-2-吡咯羧酸

CAS:6973-60-0

分子式:C6H7NO2

分子量: 125.13

InChI:InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)

InChIKey: ILAOVOOZLVGAJF-UHFFFAOYSA-N

Smiles:N1(C)C=CC=C1C(O)=O

  • 圖譜
    Mass

    MS-NW-8921          
    1-methyl-2-pyrrolecarboxylic acid
    C6H7NO2             (Mass of molecular ion:    125)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.0
          18.0       1.0
          26.0       1.1
          27.0       4.7
          28.0       4.1
          37.0       1.5
          38.0       3.7
          39.0      16.9
          39.5       1.2
          40.0       1.7
          41.0       2.0
          42.0       5.7
          44.0       4.9
          45.0       1.3
          48.5       1.3
          50.0       2.5
          51.0       4.1
          52.0       7.1
          53.0      22.9
          53.5       1.6
          54.0       4.0
          55.0       2.9
          64.0       1.5
          66.0       2.3
          78.0      15.6
          79.0      11.4
          80.0      29.1
          81.0      10.3
          82.0       1.1
          94.0       3.8
         106.0      18.4
         107.0       4.5
         108.0      44.2
         109.0       3.1
         124.0       7.8
         125.0     100.0
         126.0       7.3
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C6 H7 N O2 0.035 g : 0.5 ml DMSO-d6
    1-methyl-2-pyrrolecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 7.035 C 6.803 D 6.081 E 3.848

         Hz     ppm     Int.
    

       2813.80   7.041     99
       2811.79   7.036    160
       2809.59   7.031    104
       2721.67   6.811    129
       2719.84   6.806    130
       2717.82   6.801    138
       2715.99   6.796    126
       2425.67   6.070    132
       2423.11   6.064    139
       2421.83   6.060    134
       2419.26   6.054    127
       1538.05   3.849   1000
    

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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