3-Acetyl-2,4-dimethylpyrrole(2386-25-6) MS
Product Name3-Acetyl-2,4-dimethylpyrrole
CAS2386-25-6
Molecular FormulaC8H11NO
Molecular Weight137.18
InChIInChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3
InChIKey VGZCKCJMYREIKA-UHFFFAOYSA-N
SmilesC(=O)(C1C(C)=CNC=1C)C
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MassMS-NW-6221 3-acetyl-2,4-dimethylpyrrole C8H11NO (Mass of molecular ion: 137)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 18.0 1.0 27.0 2.2 28.0 3.9 38.0 1.1 39.0 6.9 40.0 2.3 41.0 5.8 42.0 3.8 43.0 6.9 46.5 2.5 50.0 1.1 51.0 2.7 52.0 2.9 53.0 10.8 54.0 1.3 58.5 1.0 60.5 7.5 61.0 2.2 63.0 1.9 65.0 4.6 66.0 3.8 67.0 7.2 68.5 1.4 77.0 1.2 81.0 2.5 93.0 4.2 94.0 9.3 108.0 1.4 118.0 1.2 121.0 1.6 122.0 100.0 123.0 8.1 136.0 2.2 137.0 57.0 138.0 5.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N O 0.041 g : 0.5 ml CDCl3 3-acetyl-2,4-dimethylpyrrole 
Assign. Shift(ppm)
A 9.17 B 6.362 C 2.499 D 2.431 E 2.274 J(B,E)=1.1HZ. J(NH,B)=2.3HZ.
Hz ppm Int.571.56 6.382 43 570.44 6.370 56 569.31 6.357 57 568.19 6.345 46 224.00 2.502 484 223.63 2.497 482 220.50 2.463 24 217.69 2.431 1000 214.81 2.399 26 204.19 2.280 443 203.13 2.269 448
in CDCl3
KBr disc
nujol mull
