2,5-Dimethyl-1H-pyrrole(625-84-3) IR1
Product Name2,5-Dimethyl-1H-pyrrole
CAS625-84-3
Molecular FormulaC6H9N
Molecular Weight95.14
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
InChIKey PAPNRQCYSFBWDI-UHFFFAOYSA-N
SmilesN1C(C)=CC=C1C
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MassMS-NW-3363 2,5-dimethylpyrrole C6H9N (Mass of molecular ion: 95)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 27.0 3.9 28.0 1.2 38.0 1.0 39.0 3.6 40.0 1.3 41.0 4.0 42.0 8.7 46.5 2.9 50.0 2.8 51.0 4.5 52.0 4.2 53.0 6.0 54.0 1.2 65.0 1.7 66.0 1.9 67.0 3.3 77.0 1.1 78.0 2.0 80.0 15.5 81.0 1.0 92.0 1.1 93.0 9.5 94.0 100.0 95.0 60.0 96.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H9 N 0.04 ml : 0.5 ml CDCl3 2,5-dimethylpyrrole 
Assign. Shift(ppm)
A 7.5 B 5.73 C 2.21
Hz ppm Int.514.69 5.747 128 512.00 5.717 132 197.56 2.206 1000
in CDCl3
liquid film
