Product Name3-Pyrroline
CAS109-96-6
Molecular FormulaC4H7N
Molecular Weight69.11
InChIInChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
InChIKey JVQIKJMSUIMUDI-UHFFFAOYSA-N
SmilesN1CC=CC1
Mass
MS-NW-6777 3-pyrroline C4H7N (Mass of molecular ion: 69)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.3 18.0 4.2 26.0 1.8 27.0 4.1 28.0 29.4 29.0 1.4 30.0 3.8 33.5 2.1 34.0 1.3 37.0 3.4 38.0 6.1 39.0 22.5 40.0 8.6 41.0 45.9 42.0 14.1 43.0 38.1 44.0 1.5 52.0 1.0 54.0 1.4 66.0 1.1 67.0 16.0 68.0 100.0 69.0 45.8 70.0 16.5 71.0 11.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C4 H7 N | 0.05 ml : 0.5 ml CDCl3 |
3-pyrroline |
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Assign. Shift(ppm) |
Hz ppm Int.
2342.04 5.861 1000 2337.77 5.850 125 1141.97 2.858 337 1140.99 2.855 318 1139.40 2.851 325 1135.25 2.841 564 1131.10 2.831 307 1129.39 2.826 304 1128.54 2.824 320 677.12 1.695 223 673.46 1.686 264 670.41 1.678 518 667.24 1.670 243
in CDCl3
liquid film (CONTAINS 25% PYRROLIDINE)
3-Pyrroline(109-96-6) Raman Atlas of Related Products