4-Methylpiperidine(626-58-4) IR2
Product Name4-Methylpiperidine
CAS626-58-4
Molecular FormulaC6H13N
Molecular Weight99.17
InChIInChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey UZOFELREXGAFOI-UHFFFAOYSA-N
SmilesN1CCC(C)CC1
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MassMS-NW-0649 4-methylpiperidine C6H13N (Mass of molecular ion: 99)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.6 26.0 1.9 27.0 15.2 28.0 27.5 29.0 26.6 30.0 53.3 38.0 1.4 39.0 13.1 40.0 3.2 41.0 22.3 42.0 37.8 43.0 32.9 44.0 54.9 45.0 1.7 50.0 1.1 51.0 2.0 52.0 1.2 53.0 4.4 54.0 3.5 55.0 25.0 56.0 74.4 57.0 54.0 58.0 2.8 65.0 1.3 66.0 1.8 67.0 2.9 68.0 3.3 69.0 4.0 70.0 8.5 71.0 5.3 80.0 1.6 81.0 1.1 82.0 4.5 84.0 26.5 85.0 2.0 92.0 1.1 93.0 4.8 96.0 1.4 97.0 2.7 98.0 100.0 99.0 61.5 100.0 4.3 112.0 1.8 127.0 1.8
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N 0.05 ml : 0.5 ml CDCl3 4-methylpiperidine 
Assign. Shift(ppm)
A 3.026 B 2.569 C 1.84 D 1.608 E 1.451 F 1.077 G 0.911 J(B,D)=2.6HZ. J(A,B)=J(B,F)=12.2HZ.
Hz ppm Int.1219.36 3.052 98 1218.51 3.049 103 1215.58 3.042 162 1213.13 3.036 103 1212.40 3.034 105 1206.91 3.020 112 1206.30 3.019 114 1203.74 3.012 172 1200.81 3.005 104 1199.71 3.002 104 1039.79 2.602 159 1037.11 2.596 160 1027.59 2.572 261 1024.90 2.565 262 1015.26 2.541 135 1012.70 2.534 135 734.74 1.839 63 654.54 1.638 43 651.49 1.631 105 649.90 1.627 125 648.68 1.624 121 647.83 1.621 123 643.92 1.612 54 641.97 1.607 52 639.16 1.600 104 638.06 1.597 126 637.21 1.595 133 636.11 1.592 136 635.50 1.591 134 634.40 1.588 129 587.40 1.470 45 583.62 1.461 64 580.57 1.453 48 577.03 1.444 67 572.39 1.433 47 570.43 1.428 33 569.46 1.425 32 565.67 1.416 39 449.95 1.126 72 445.92 1.116 71 437.99 1.096 125 437.01 1.094 121 433.72 1.086 135 425.42 1.065 118 422.36 1.057 103 421.26 1.055 111 413.33 1.035 49 409.30 1.025 53 367.43 0.920 1000 364.62 0.913 67 360.84 0.903 929 356.93 0.894 30
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1H NMR 89.56 MHz C6 H13 N 0.04 ml : 0.5 ml CDCl3 4-methylpiperidine Assign. Shift(ppm)
A 0.92 B 1.08 C 1.45 D 1.61 E 2.57 F 2.67 G 3.02
Hz ppm Int.278.56 3.111 99 266.56 2.977 175 239.38 2.673 393 230.75 2.577 215 222.31 2.483 40 221.88 2.478 40 218.81 2.444 103 150.19 1.677 121 139.81 1.562 229 113.25 1.265 127 102.06 1.140 157 94.13 1.052 68 93.69 1.047 71 90.38 1.010 132 86.25 0.964 182 84.38 0.943 1000 78.75 0.880 620 71.38 0.798 56 68.13 0.761 33 68.00 0.760 33 67.38 0.753 30
in CDCl3
CCl4 solution
liquid film
