Product Name3-(2-METHYLPIPERIDINO)PROPIONITRILE
Molecular FormulaC9H16N2
Molecular Weight152.23674
InChIInChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-5,7-8H2,1H3
InChIKey SJFHISLGBSSBQE-UHFFFAOYSA-N
SmilesC(#N)CCN1CCCCC1C
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MassMS-IW-4785 3-(2-methylpiperidino)propionitrile C9H16N2 (Mass of molecular ion: 152)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 2.6 27.0 7.2 28.0 10.5 29.0 5.4 30.0 7.3 39.0 6.7 40.0 2.8 41.0 20.1 42.0 21.4 43.0 3.8 44.0 21.5 51.0 1.4 52.0 3.1 53.0 5.1 54.0 11.0 55.0 23.5 56.0 23.7 57.0 3.2 58.0 1.1 67.0 2.9 68.0 5.2 69.0 7.5 70.0 4.1 71.0 1.9 79.0 1.0 80.0 1.3 81.0 5.1 82.0 3.6 83.0 7.4 84.0 9.4 93.0 1.0 94.0 1.5 95.0 2.1 96.0 22.1 97.0 8.0 98.0 2.8 109.0 7.2 110.0 4.8 111.0 3.1 112.0 100.0 113.0 8.5 123.0 1.0 137.0 91.0 138.0 8.8 151.0 3.9 152.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 N2 0.05 ml : 0.5 ml CDCl3 3-(2-methylpiperidino)propionitrile 
Assign. Shift(ppm)
A 2.997 B 2.813 C 2.81 D 2.454 E 2.346 F 2.262 G 1.67 J 1.63 K 1.60 L 1.53 M 1.28 N 1.082 ASSIGNED BY C-H AND H-H COSY. J(A,B)=-13.6HZ J(C,F)=-11.0HZ
Hz ppm Int.1213.38 3.037 69 1205.57 3.017 102 1199.71 3.002 107 1198.49 2.999 93 1192.87 2.985 114 1191.89 2.983 129 1184.94 2.965 108 1136.60 2.844 109 1132.69 2.835 54 1131.59 2.832 63 1129.27 2.826 208 1124.88 2.815 58 1122.68 2.810 188 1120.61 2.804 66 1116.09 2.793 207 1113.89 2.788 57 1112.43 2.784 49 1108.89 2.775 91 988.16 2.473 264 987.43 2.471 263 981.08 2.455 422 979.37 2.451 247 974.00 2.438 210 972.78 2.435 210 946.78 2.370 42 943.73 2.362 49 940.55 2.354 60 937.50 2.346 76 934.45 2.339 56 931.27 2.331 56 928.34 2.323 36 916.38 2.293 90 913.21 2.286 95 905.40 2.266 136 902.47 2.259 124 894.41 2.238 81 891.36 2.231 79 675.66 1.691 39 674.44 1.688 38 671.14 1.680 63 666.14 1.667 81 662.84 1.659 77 661.74 1.656 74 658.94 1.649 54 657.23 1.645 69 655.27 1.640 78 653.93 1.637 101 652.34 1.633 117 651.37 1.630 109 647.95 1.622 108 646.24 1.618 92 643.07 1.610 113 640.75 1.604 89 638.67 1.599 122 635.50 1.591 77 631.35 1.580 34 625.49 1.566 41 621.58 1.556 31 618.77 1.549 41 616.82 1.544 35 614.87 1.539 58 614.50 1.538 58 612.43 1.533 41 610.47 1.528 46 608.64 1.523 33 607.30 1.520 34 606.45 1.518 34 604.86 1.514 36 603.52 1.511 46 601.68 1.506 39 599.73 1.501 30 522.09 1.307 44 520.87 1.304 56 520.14 1.302 56 518.07 1.297 75 516.36 1.293 89 513.55 1.285 79 510.50 1.278 152 508.91 1.274 147 507.20 1.270 104 505.00 1.264 87 503.78 1.261 64 502.20 1.257 48 500.98 1.254 72 499.51 1.250 70 498.29 1.247 68 495.48 1.240 30 435.55 1.090 1000 429.32 1.075 967
in CDCl3
liquid film
