2-N-PROPYL-2-IMIDAZOLINE(15450-05-2) IR1
Product Name2-N-PROPYL-2-IMIDAZOLINE
CAS15450-05-2
Molecular FormulaC6H12N2
Molecular Weight112.17
InChIInChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKey LFCYHAXVBWPGQR-UHFFFAOYSA-N
SmilesC1(CCC)NCCN=1
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MassMS-IW-9232 2-propyl-2-imidazoline C6H12N2 (Mass of molecular ion: 112)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.4 18.0 2.9 26.0 1.7 27.0 9.3 28.0 13.3 29.0 3.7 30.0 5.4 39.0 5.2 40.0 2.9 41.0 20.9 42.0 17.0 43.0 11.1 44.0 7.5 52.0 1.4 53.0 2.0 54.0 21.4 55.0 46.5 56.0 5.2 57.0 1.1 67.0 1.6 68.0 3.2 69.0 3.2 70.0 4.1 81.0 5.0 82.0 16.9 83.0 11.7 84.0 100.0 85.0 5.3 95.0 2.2 97.0 16.0 98.0 1.1 109.0 1.4 110.0 1.1 111.0 15.7 112.0 6.0 113.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 N2 0.037 g : 0.5 ml CDCl3 2-propyl-2-imidazoline 
Assign. Shift(ppm)
A 4.7 B 3.572 C 2.205 D 1.640 E 0.968
Hz ppm Int.1427.86 3.573 747 889.04 2.225 170 881.35 2.206 254 873.66 2.187 184 674.93 1.689 53 667.48 1.671 169 665.28 1.665 30 661.99 1.657 52 659.79 1.651 238 657.84 1.647 49 654.66 1.639 47 652.22 1.632 261 650.39 1.628 45 646.00 1.617 45 644.78 1.614 168 637.33 1.595 50 394.17 0.987 547 391.60 0.980 41 386.84 0.968 1000 379.39 0.950 490
in CDCl3
KBr disc
nujol mull
