N-(2-CYANOETHYL)PYRROLE(43036-06-2) MS
Product NameN-(2-CYANOETHYL)PYRROLE
CAS43036-06-2
Molecular FormulaC7H8N2
Molecular Weight120.15
InChIInChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
InChIKey IYOLJLGYJMJLSU-UHFFFAOYSA-N
SmilesN1(CCC#N)C=CC=C1
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MassMS-NW-8543 3-(1-pyrrolyl)propionitrile C7H8N2 (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 2.7 27.0 10.3 28.0 7.7 37.0 1.9 38.0 4.7 39.0 12.8 40.0 5.8 41.0 5.7 50.0 3.1 51.0 6.3 52.0 6.5 53.0 34.8 54.0 4.5 64.0 1.4 65.0 3.5 66.0 3.4 67.0 7.4 78.0 7.7 79.0 2.1 80.0 100.0 81.0 6.0 92.0 6.5 93.0 1.5 119.0 2.1 120.0 51.0 121.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 N2 0.05 ml : 0.5 ml CDCl3 3-(1-pyrrolyl)propionitrile 
Assign. Shift(ppm)
A 6.661 B 6.161 C 4.073 D 2.648 J(A,B)=2.1HZ
Hz ppm Int.602.25 6.725 47 598.69 6.685 557 596.63 6.662 944 594.50 6.639 645 590.88 6.598 58 589.06 6.578 40 587.63 6.562 31 587.13 6.556 30 558.50 6.237 37 558.00 6.231 40 553.81 6.184 722 551.69 6.161 1000 549.56 6.137 618 545.75 6.094 58 542.88 6.062 33 542.19 6.054 31 371.44 4.148 366 369.31 4.124 77 368.69 4.117 74 364.81 4.074 781 358.19 4.000 445 246.06 2.748 40 243.44 2.719 484 240.56 2.687 72 239.81 2.678 75 239.50 2.675 76 236.88 2.645 883 230.19 2.571 406 226.13 2.525 30 225.38 2.517 30
in CDCl3
liquid film
