4-Benzylpiperidine(31252-42-3) IR1
Product Name4-Benzylpiperidine
CAS31252-42-3
Molecular FormulaC12H17N
Molecular Weight175.27
InChIInChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKey ABGXADJDTPFFSZ-UHFFFAOYSA-N
SmilesN1CCC(CC2=CC=CC=C2)CC1
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MassMS-NW-6402 4-benzylpiperidine C12H17N (Mass of molecular ion: 175)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.5 17.0 1.2 18.0 5.9 27.0 7.1 28.0 13.7 29.0 14.6 30.0 100.0 31.0 1.9 38.0 1.0 39.0 10.4 40.0 1.0 41.0 6.9 42.0 23.9 43.0 11.5 44.0 22.2 45.0 1.2 50.0 2.1 51.0 5.2 52.0 2.0 53.0 3.6 54.0 3.5 55.0 42.4 56.0 53.4 57.0 22.4 58.0 1.6 63.0 3.0 65.0 9.2 67.0 2.7 68.0 3.7 69.0 42.1 70.0 5.8 77.0 3.0 78.0 2.0 79.0 1.5 80.0 2.1 82.0 24.5 83.0 14.9 84.0 44.4 85.0 3.1 89.0 1.8 91.0 23.9 92.0 3.0 93.0 2.5 96.0 1.1 97.0 21.2 98.0 2.8 103.0 1.6 104.0 2.2 105.0 1.7 115.0 4.5 116.0 1.7 117.0 6.4 118.0 7.6 119.0 1.0 128.0 1.6 129.0 3.4 130.0 6.7 131.0 2.7 132.0 2.1 145.0 1.0 146.0 1.0 168.0 1.8 169.0 3.0 173.0 1.9 174.0 40.3 175.0 60.3 176.0 8.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H17 N 0.04 ml : 0.5 ml CDCl3 4-benzylpiperidine 
Assign. Shift(ppm)
A 7.26 B 7.26 C 7.18 D 7.13 E 3.022 F 2.52 G 2.51 J 1.62 K 1.148
Hz ppm Int.2911.50 7.286 239 2910.52 7.283 355 2908.94 7.279 195 2905.15 7.270 312 2903.44 7.265 1000 2897.34 7.250 256 2896.00 7.247 577 2894.04 7.242 143 2875.24 7.195 154 2873.90 7.192 296 2872.56 7.188 214 2868.53 7.178 130 2866.46 7.173 388 2864.38 7.168 144 2860.47 7.158 118 2859.13 7.155 187 2857.79 7.151 155 2855.35 7.145 579 2853.88 7.141 672 2851.81 7.136 190 2847.05 7.124 499 1213.87 3.038 244 1202.03 3.008 257 1017.58 2.547 228 1015.38 2.541 247 1008.54 2.524 717 1005.37 2.516 503 1001.95 2.508 788 993.16 2.486 183 990.97 2.480 168 665.65 1.666 59 662.11 1.657 81 658.45 1.648 140 654.91 1.639 286 651.98 1.632 327 648.32 1.623 186 646.85 1.619 258 641.48 1.606 341 638.67 1.599 287 635.13 1.590 123 479.13 1.199 89 475.22 1.190 94 467.53 1.170 189 465.94 1.166 204 463.50 1.160 209 458.74 1.148 61 453.86 1.136 181 451.42 1.130 168 449.95 1.126 151 442.14 1.107 61
in CDCl3
liquid film
4880 A,200 M,liquid
