2,4-Dimethyl-3-ethyl-1H-pyrrole(517-22-6) IR1
Product Name2,4-Dimethyl-3-ethyl-1H-pyrrole
CAS517-22-6
Molecular FormulaC8H13N
Molecular Weight123.2
InChIInChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3
InChIKey ZEBBLOXDLGIMEG-UHFFFAOYSA-N
SmilesN1C=C(C)C(CC)=C1C
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MassMS-NW-5432 3-ethyl-2,4-dimethylpyrrole C8H13N (Mass of molecular ion: 123)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.2 28.0 2.8 39.0 6.3 40.0 1.6 41.0 6.1 42.0 4.2 50.0 1.0 51.0 2.4 52.0 2.1 53.0 4.4 54.0 2.1 58.5 1.0 63.0 1.2 65.0 2.9 66.0 2.3 67.0 4.6 77.0 3.2 78.0 1.0 79.0 3.7 80.0 2.0 81.0 2.6 91.0 1.3 92.0 1.1 93.0 5.3 94.0 4.4 95.0 1.1 106.0 5.6 107.0 7.9 108.0 100.0 109.0 8.2 110.0 1.3 120.0 2.0 121.0 1.0 122.0 7.0 123.0 45.3 124.0 4.7 137.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H13 N 0.04 ml : 0.5 ml CDCl3 3-ethyl-2,4-dimethylpyrrole 
Assign. Shift(ppm)
A 7. B 6.361 C 2.38 D 2.158 E 2.031 F 1.081 J(B,E)=1.0HZ.
Hz ppm Int.570.63 6.372 83 570.25 6.368 85 569.19 6.356 83 568.88 6.352 81 568.19 6.345 73 225.69 2.520 48 218.06 2.435 185 210.50 2.351 204 203.13 2.269 83 193.25 2.158 980 182.38 2.037 967 181.38 2.026 1000 179.69 2.007 50 104.94 1.172 58 103.56 1.157 343 96.31 1.076 678 95.88 1.071 493 88.56 0.989 257 88.06 0.984 139
in CDCl3
liquid film
