3-Methylpiperidine(626-56-2) 13C NMR
Product Name3-Methylpiperidine
CAS626-56-2
Molecular FormulaC6H13N
Molecular Weight99.17
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKey JEGMWWXJUXDNJN-UHFFFAOYSA-N
SmilesN1CCCC(C)C1
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MassMS-NW-3266 3-methylpiperidine C6H13N (Mass of molecular ion: 99)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.1 18.0 1.7 26.0 1.7 27.0 11.3 28.0 20.3 29.0 18.4 30.0 46.6 38.0 2.3 39.0 17.2 40.0 4.1 41.0 24.2 42.0 32.2 43.0 23.9 44.0 100.0 45.0 2.9 50.0 1.1 51.0 1.9 52.0 1.3 53.0 3.6 54.0 3.3 55.0 10.4 56.0 40.9 57.0 49.0 58.0 4.3 63.0 1.1 65.0 3.6 66.0 5.2 67.0 3.7 68.0 3.6 69.0 5.1 70.0 24.3 71.0 9.8 80.0 1.3 81.0 1.9 82.0 3.2 83.0 1.0 84.0 47.5 85.0 3.0 92.0 3.9 93.0 12.9 94.0 1.4 96.0 1.0 98.0 56.4 99.0 56.8 100.0 4.2 112.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N 0.05 ml : 0.5 ml CDCl3 3-methylpiperidine 
Assign. Shift(ppm)
A 2.97 B 2.500 C 2.192 D 1.761 E 1.614 F 1.50 G 1.43 J 1.010 K 0.830 ASSIGNED BY C-H COSY.
Hz ppm Int.1200.81 3.005 61 1199.34 3.001 70 1198.00 2.998 89 1196.78 2.995 96 1193.97 2.988 119 1192.63 2.985 123 1189.82 2.978 124 1188.72 2.975 140 1187.38 2.972 138 1186.04 2.968 120 1184.57 2.965 111 1183.11 2.961 96 1181.88 2.958 137 1180.54 2.954 127 1178.59 2.950 96 1176.51 2.944 91 1012.33 2.534 100 1009.40 2.526 106 1000.37 2.504 182 997.44 2.496 182 988.28 2.473 100 985.47 2.466 92 887.33 2.221 174 876.83 2.194 201 875.37 2.191 187 864.87 2.165 174 714.23 1.788 54 712.40 1.783 72 710.57 1.778 80 708.74 1.774 77 707.03 1.770 61 705.08 1.765 47 703.25 1.760 45 701.17 1.755 60 699.46 1.751 78 697.63 1.746 87 695.80 1.742 82 694.09 1.737 64 656.25 1.643 62 652.71 1.634 86 649.29 1.625 64 646.00 1.617 56 643.07 1.610 93 639.40 1.600 121 635.99 1.592 84 615.48 1.541 49 611.69 1.531 44 608.76 1.524 71 604.86 1.514 80 601.44 1.505 65 597.78 1.496 89 596.19 1.492 67 593.99 1.487 82 592.16 1.482 99 591.19 1.480 68 588.26 1.472 67 587.40 1.470 69 583.74 1.461 94 579.96 1.452 139 575.93 1.442 115 575.07 1.439 106 571.90 1.432 179 571.17 1.430 175 567.87 1.421 150 564.09 1.412 77 563.23 1.410 67 558.72 1.399 46 554.81 1.389 61 422.85 1.059 59 418.95 1.049 57 411.62 1.030 66 410.16 1.027 98 407.71 1.021 69 406.25 1.017 92 399.05 0.999 85 397.58 0.995 66 395.02 0.989 83 393.68 0.986 59 386.35 0.967 43 382.32 0.957 42 334.96 0.839 1000 328.25 0.822 962
in CDCl3
liquid film
