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MassMS-NW-6722 2-pyrrolecarboxylic acid C5H5NO2 (Mass of molecular ion: 111)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
16.0 1.0 18.0 2.6 26.0 1.7 27.0 2.4 28.0 19.7 29.0 1.4 32.0 2.1 32.5 2.5 33.5 1.2 36.0 1.4 37.0 8.9 38.0 18.6 39.0 38.1 40.0 16.6 41.0 14.5 41.5 4.0 44.0 26.3 45.0 3.8 47.0 1.6 52.0 1.4 53.0 1.7 54.0 1.0 55.0 2.8 63.0 1.5 64.0 5.6 65.0 39.4 66.0 27.4 67.0 28.8 68.0 1.5 93.0 86.6 94.0 25.5 95.0 1.8 111.0 100.0 112.0 6.3
400 MHz in DMSO-d6
parameter in acetone
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1H NMR 399.65 MHz C5 H5 N O2 0.031 g : 0.5 ml DMSO-d6 2-pyrrolecarboxylic acid 
Assign. Shift(ppm)
A *1 12.2 B *1 11.72 C 6.970 D 6.751 E 6.147
Hz ppm Int.4883.75 12.221 76 4684.17 11.721 308 2789.22 6.980 508 2787.72 6.976 700 2786.44 6.973 949 2784.94 6.969 996 2783.88 6.966 823 2782.38 6.963 638 2702.04 6.762 511 2700.54 6.758 675 2699.68 6.756 761 2698.19 6.752 1000 2696.91 6.749 805 2696.05 6.747 814 2694.56 6.743 608 2461.00 6.158 489 2458.65 6.153 955 2457.58 6.150 771 2456.51 6.147 762 2455.02 6.143 998 2452.88 6.138 548
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1H NMR 300 MHz C5 H5 N O2 ca 5 wt% in acetone 2-pyrrolecarboxylic acid Parameter ppm Hz
D(A) 6.88 D(B) 6.20 D(C) 7.05 D(D) 10.88 J(A,B) 3.65 J(A,C) 1.53 J(A,D) 2.57 J(B,C) 2.63 J(B,D) 2.33 J(C,D) 2.87 D(E) 8.61 SHIMOKAWA,S. ET AL. MOL.PHYS. 19, 695 (1970)
Hz ppm Int.3267.90 10.893 134 3265.36 10.885 305 3262.70 10.876 297 3260.16 10.867 136 2583.01 8.610 1000 2118.51 7.062 135 2116.98 7.057 164 2115.80 7.053 256 2114.27 7.048 269 2113.09 7.044 160 2111.56 7.039 145 2067.86 6.893 140 2066.33 6.888 152 2065.33 6.884 169 2064.15 6.880 217 2062.75 6.876 166 2061.70 6.872 161 2060.17 6.867 137 1864.26 6.214 138 1861.81 6.206 240 1860.68 6.202 167 1859.32 6.198 168 1858.23 6.194 232 1855.69 6.186 130
in DMSO-d6
KBr disc
nujol mull
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