4-Phenylpiperidine(771-99-3) 13C NMR
Product Name4-Phenylpiperidine
CAS771-99-3
Molecular FormulaC11H15N
Molecular Weight161.24
InChIInChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey UTBULQCHEUWJNV-UHFFFAOYSA-N
SmilesN1CCC(C2=CC=CC=C2)CC1
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MassMS-NW-6792 4-phenylpiperidine C11H15N (Mass of molecular ion: 161)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.3 18.0 2.2 27.0 5.0 28.0 21.5 29.0 20.6 30.0 42.5 39.0 5.6 41.0 3.5 42.0 16.4 43.0 56.8 44.0 31.9 50.0 1.4 51.0 6.5 52.0 2.4 53.0 2.8 54.0 2.4 55.0 5.7 56.0 100.0 57.0 72.4 58.0 3.0 63.0 2.4 65.0 4.6 68.0 5.3 69.0 7.7 70.0 2.7 76.0 1.3 77.0 10.1 78.0 7.8 79.0 2.1 80.0 1.3 80.5 1.2 82.0 5.9 83.0 24.2 84.0 2.7 89.0 1.8 91.0 14.7 92.0 1.7 102.0 2.7 103.0 8.2 104.0 14.3 105.0 5.3 106.0 1.8 115.0 7.4 116.0 2.9 117.0 6.7 118.0 5.8 119.0 1.9 120.0 1.6 127.0 1.4 128.0 2.6 129.0 3.3 130.0 3.1 131.0 2.5 132.0 3.5 133.0 1.3 143.0 1.0 144.0 1.5 145.5 1.7 154.0 1.0 155.0 4.0 158.0 1.0 159.0 2.4 160.0 34.9 161.0 84.8 162.0 10.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C11 H15 N 0.039 g : 0.5 ml CDCl3 4-phenylpiperidine 
Assign. Shift(ppm)
A 7.31 to 7.15 B 3.155 C 2.72 D 2.61 E 1.86 F 1.89 to 1.75 G 1.60 400MHZ : HSP-41-831
Hz ppm Int.661.19 7.383 46 657.50 7.342 33 655.81 7.323 56 653.81 7.301 97 652.94 7.291 115 651.56 7.276 169 648.63 7.243 1000 647.69 7.232 979 644.44 7.196 176 643.06 7.181 70 642.31 7.172 68 641.75 7.166 65 640.13 7.148 92 294.25 3.286 36 293.69 3.280 39 290.56 3.245 65 287.88 3.215 52 281.81 3.147 73 281.50 3.144 74 278.75 3.113 123 278.31 3.108 122 276.19 3.084 85 275.75 3.079 84 256.88 2.869 96 253.31 2.829 80 245.56 2.742 144 242.38 2.707 138 237.94 2.657 51 233.75 2.610 146 230.06 2.569 95 226.69 2.532 43 222.50 2.485 70 218.06 2.435 42 173.13 1.934 36 172.44 1.926 37 166.88 1.864 232 163.00 1.821 165 162.31 1.813 168 160.25 1.790 171 159.00 1.776 192 158.63 1.772 192 156.44 1.747 140 154.94 1.731 79 153.75 1.717 67 151.94 1.697 134 147.81 1.651 138 140.38 1.568 54 138.75 1.550 43 136.25 1.522 57 134.81 1.506 42
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1H NMR 399.65 MHz C11 H15 N 0.034 g : 0.5 ml CDCl3 4-phenylpiperidine Assign. Shift(ppm)
A 7.296 B 7.22 C 7.19 D 3.178 E 2.734 F 2.606 G 1.97 J 1.823 K 1.642 90MHZ : HSP-03-779
Hz ppm Int.2925.42 7.320 233 2924.56 7.318 370 2922.97 7.314 183 2917.85 7.302 611 2917.11 7.300 780 2913.57 7.291 97 2911.62 7.286 296 2909.79 7.281 755 2908.08 7.277 238 2904.42 7.268 53 2902.83 7.264 48 2901.86 7.262 49 2901.00 7.259 50 2900.02 7.257 50 2898.93 7.254 52 2898.32 7.253 53 2890.14 7.232 622 2888.79 7.229 1000 2886.96 7.224 292 2881.59 7.211 797 2880.86 7.209 645 2880.37 7.208 669 2878.78 7.204 271 2874.88 7.194 231 2872.92 7.189 498 2870.85 7.184 161 2867.19 7.175 145 2865.84 7.171 221 2864.38 7.168 121 1276.00 3.193 271 1264.04 3.163 304 1105.59 2.767 218 1103.15 2.761 229 1098.88 2.750 61 1093.38 2.736 405 1091.06 2.731 407 1085.69 2.717 54 1085.08 2.716 55 1081.18 2.706 210 1078.86 2.700 199 1057.37 2.646 68 1053.71 2.637 121 1049.93 2.628 75 1047.85 2.622 36 1045.29 2.616 136 1041.63 2.607 245 1037.96 2.598 138 1033.20 2.586 80 1029.54 2.577 135 1025.88 2.567 74 787.96 1.972 151 736.08 1.842 265 722.17 1.808 354 675.05 1.690 168 671.02 1.680 170 667.36 1.670 43 662.96 1.659 345 661.99 1.657 306 658.81 1.649 371 650.76 1.629 244 649.66 1.626 308 646.61 1.618 267 645.63 1.616 271 637.45 1.596 108 633.42 1.585 104
in CDCl3
KBr disc
nujol mull
