Product NameN-Methylpyrrole-2-carboxylic acid
CAS6973-60-0
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
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 |
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Assign. Shift(ppm) |
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
KBr disc
nujol mull
N-Methylpyrrole-2-carboxylic acid(6973-60-0) IR1 Atlas of Related Products
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