N-(3-Aminopropyl)-imidazole(5036-48-6) 13C NMR
Product NameN-(3-Aminopropyl)-imidazole
CAS5036-48-6
Molecular FormulaC6H11N3
Molecular Weight125.17
InChIInChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChIKey KDHWOCLBMVSZPG-UHFFFAOYSA-N
SmilesC1N(CCCN)C=CN=1
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MassMS-IW-2618 3-(1-imidazolyl)propylamine C6H11N3 (Mass of molecular ion: 125)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.3 26.0 2.8 27.0 7.2 28.0 18.0 29.0 2.6 30.0 49.7 31.0 1.6 39.0 4.3 40.0 7.2 41.0 15.5 42.0 8.5 43.0 4.2 44.0 3.0 52.0 2.9 53.0 1.9 54.0 13.8 55.0 35.4 56.0 10.8 57.0 3.4 67.0 2.1 68.0 26.5 69.0 21.8 70.0 1.6 80.0 2.0 81.0 31.3 82.0 100.0 83.0 6.4 95.0 9.0 96.0 5.9 107.0 3.1 108.0 1.7 125.0 7.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 N3 0.05 ml : 0.5 ml CDCl3 3-(1-imidazolyl)propylamine 
Assign. Shift(ppm)
A 7.69 B 7.468 C 7.006 D 6.933 E 4.010 F 2.636 G 1.846
Hz ppm Int.
3073.12 7.690 1000 2984.86 7.469 273 2800.90 7.009 230 2799.93 7.006 337 2798.83 7.004 233 2772.22 6.937 229 2771.00 6.934 345 2769.65 6.931 208 1609.86 4.029 262 1602.91 4.011 437 1595.83 3.994 260 1060.55 2.654 298 1053.83 2.637 530 1047.00 2.620 305 751.59 1.881 92 744.75 1.864 284 737.79 1.847 373 730.83 1.829 273 724.00 1.812 85
in CDCl3
liquid film
