N-ISOPROPYL-1,3-PROPANEDIAMINE(3360-16-5) MS
Product NameN-ISOPROPYL-1,3-PROPANEDIAMINE
CAS3360-16-5
Molecular FormulaC6H16N2
Molecular Weight116.2
InChIInChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3
InChIKey KFDIDIIKNMZLRZ-UHFFFAOYSA-N
SmilesN(C(C)C)CCCN
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MassMS-IW-3486 n-isopropyltrimethylenediamine C6H16N2 (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.8 18.0 5.3 27.0 6.7 28.0 13.5 29.0 2.5 30.0 77.4 31.0 2.1 39.0 4.5 40.0 1.1 41.0 18.0 42.0 12.5 43.0 16.6 44.0 45.0 45.0 3.3 54.0 1.4 55.0 1.0 56.0 22.5 57.0 13.6 58.0 100.0 59.0 5.5 60.0 8.1 68.0 1.1 70.0 6.1 71.0 6.3 72.0 48.1 73.0 8.3 84.0 28.7 85.0 2.3 86.0 4.9 98.0 2.4 99.0 15.0 100.0 1.1 101.0 7.3 116.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H16 N2 0.05 ml : 0.5 ml CDCl3 N-isopropyltrimethylenediamine 
Assign. Shift(ppm)
A 2.782 B 2.756 C 2.655 D 1.621 E 1.38 F 1.049
Hz ppm Int.1124.51 2.814 49 1118.29 2.799 117 1112.06 2.783 158 1108.40 2.774 198 1105.83 2.767 135 1101.44 2.757 360 1094.73 2.740 210 1068.12 2.673 209 1061.04 2.655 342 1053.96 2.638 230 661.87 1.657 67 655.03 1.640 212 647.95 1.622 266 640.99 1.604 198 634.03 1.587 61 552.12 1.382 331 428.83 1.074 43 422.61 1.058 970 416.26 1.042 1000
in CDCl3
liquid film
