N-Methylpyrrole-2-carboxylic acid(6973-60-0) ¹³C NMR

Product NameN-Methylpyrrole-2-carboxylic acid

CAS 6973-60-0

Molecular FormulaC6H7NO2

Molecular Weight125.13

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

InChIKey ILAOVOOZLVGAJF-UHFFFAOYSA-N

SmilesN1(C)C=CC=C1C(O)=O

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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

¹H NMR	399.65 MHz
C₆ H₇ N O₂	0.035 g : 0.5 ml DMSO-d₆
1-methyl-2-pyrrolecarboxylic acid

    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