2-Methylpiperazine(109-07-9) 13C NMR
Product Name2-Methylpiperazine
CAS109-07-9
Molecular FormulaC5H12N2
Molecular Weight100.16
InChIInChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
InChIKey JOMNTHCQHJPVAZ-UHFFFAOYSA-N
SmilesN1CCNCC1C
-
MassMS-NW-8909 2-methylpiperazine C5H12N2 (Mass of molecular ion: 100)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 18.0 2.7 27.0 5.1 28.0 29.8 29.0 12.4 30.0 32.8 31.0 1.8 39.0 3.9 40.0 1.7 41.0 11.1 42.0 36.4 43.0 26.9 44.0 100.0 45.0 3.0 54.0 4.0 55.0 2.1 56.0 44.8 57.0 48.3 58.0 29.4 59.0 3.4 68.0 2.3 69.0 2.3 70.0 9.4 71.0 8.8 83.0 2.8 84.0 3.0 85.0 71.5 86.0 3.8 99.0 5.8 100.0 15.2 101.0 4.9
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H12 N2 0.050 g : 0.5 ml CDCl3 2-methylpiperazine 
Assign. Shift(ppm)
A 3.07 to 2.49 B 2.35 C 1.92 D 0.999
Hz ppm Int.269.06 3.005 54 267.50 2.987 67 265.56 2.966 121 262.69 2.934 137 260.94 2.914 133 260.00 2.904 148 256.50 2.865 127 253.69 2.833 534 252.06 2.815 301 249.00 2.781 96 245.25 2.739 176 242.69 2.710 96 239.44 2.674 76 238.69 2.666 79 237.06 2.647 65 235.94 2.635 40 233.25 2.605 39 231.06 2.580 33 220.81 2.466 31 218.56 2.441 107 217.25 2.426 31 209.13 2.336 114 207.38 2.316 133 198.13 2.213 35 172.38 1.925 1000 92.50 1.033 786 89.06 0.995 39 86.38 0.965 762
-
1H NMR 399.65 MHz C5 H12 N2 0.046 g : 0.5 ml CDCl3 2-methylpiperazine Assign. Shift(ppm)
A *1 2.95 B 2.90 C *1 2.89 D *2 2.823 E 2.743 F *2 2.707 G 2.346 J 1.96 K 1.001
Hz ppm Int.1187.74 2.972 72 1186.04 2.968 93 1185.55 2.967 96 1185.06 2.966 93 1183.11 2.961 84 1176.39 2.944 115 1174.80 2.940 136 1173.34 2.936 119 1171.51 2.932 129 1167.24 2.921 109 1163.94 2.913 131 1162.35 2.909 87 1161.01 2.906 93 1159.79 2.903 89 1157.84 2.898 81 1156.13 2.893 109 1155.27 2.891 111 1152.22 2.884 155 1149.41 2.877 103 1147.83 2.873 106 1140.75 2.855 158 1137.94 2.848 64 1129.88 2.828 188 1127.08 2.821 167 1118.16 2.798 123 1115.48 2.792 115 1113.77 2.787 33 1107.30 2.771 71 1104.37 2.764 73 1100.95 2.755 94 1097.53 2.747 103 1094.48 2.739 99 1090.94 2.730 203 1087.65 2.722 160 1084.59 2.714 36 1081.67 2.707 41 1079.35 2.701 140 1076.29 2.694 123 1068.12 2.673 65 1065.31 2.666 52 947.88 2.372 184 937.87 2.347 171 935.91 2.342 171 925.90 2.317 138 783.20 1.960 229 403.20 1.009 1000 396.85 0.993 954
in CDCl3
KBr disc
