2-Pyrrolidinone(616-45-5) IR2
Product Name2-Pyrrolidinone
CAS616-45-5
Molecular FormulaC4H7NO
Molecular Weight85.1
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey HNJBEVLQSNELDL-UHFFFAOYSA-N
SmilesN1CCCC1=O
-
MassMS-NW-4213 2-pyrrolidone C4H7NO (Mass of molecular ion: 85)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.5 15.0 3.0 18.0 1.4 26.0 6.6 27.0 16.1 28.0 45.5 29.0 15.0 30.0 69.8 31.0 1.1 32.0 1.4 37.0 1.2 38.0 1.7 39.0 9.4 40.0 13.5 41.0 61.8 42.0 73.9 43.0 2.8 44.0 2.2 52.0 1.5 54.0 2.2 55.0 3.9 56.0 11.5 57.0 1.6 84.0 19.4 85.0 100.0 86.0 5.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C4 H7 N O 0.05 ml : 0.5 ml CDCl3 2-pyrrolidone 
Assign. Shift(ppm)
A 7.71 B 3.404 C 2.294 D 2.117
Hz ppm Int.3082.76 7.714 95 1373.78 3.438 35 1367.43 3.422 612 1364.50 3.415 137 1360.60 3.405 997 1353.52 3.387 670 931.15 2.330 36 925.90 2.317 501 921.88 2.307 115 918.33 2.298 1000 913.70 2.287 132 909.91 2.277 821 859.62 2.151 239 856.45 2.144 90 852.91 2.135 579 851.81 2.132 451 845.46 2.116 647 837.65 2.096 475 836.18 2.093 320 830.32 2.078 137 829.47 2.076 153
in CDCl3
CCl4 solution
liquid film
