1-Benzyl-4-hydroxypiperidine(4727-72-4) 13C NMR
Product Name1-Benzyl-4-hydroxypiperidine
CAS4727-72-4
Molecular FormulaC12H17NO
Molecular Weight191.27
InChIInChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey BPPZXJZYCOETDA-UHFFFAOYSA-N
SmilesN1(CC2=CC=CC=C2)CCC(O)CC1
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MassMS-NW-8064 1-benzyl-4-piperidinol C12H17NO (Mass of molecular ion: 191)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.3 27.0 2.1 28.0 4.1 29.0 2.5 30.0 2.4 39.0 3.8 41.0 3.6 42.0 13.1 43.0 2.7 44.0 13.7 45.0 1.0 51.0 2.0 54.0 1.4 55.0 3.7 56.0 11.0 57.0 1.9 63.0 1.7 65.0 12.0 70.0 1.3 71.0 1.5 77.0 1.4 82.0 4.1 89.0 2.3 90.0 1.5 91.0 100.0 92.0 16.1 100.0 44.7 101.0 2.7 104.0 2.4 105.0 1.2 114.0 38.9 115.0 2.9 117.0 1.2 118.0 2.5 119.0 1.0 120.0 2.0 132.0 5.5 133.0 1.1 134.0 1.3 146.0 6.5 172.0 2.5 174.0 3.2 190.0 35.2 191.0 51.3 192.0 7.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H17 N O 0.037 g : 0.5 ml CDCl3 1-benzyl-4-piperidinol 
Assign. Shift(ppm)
A 7.31 B 7.25 C 3.663 D 3.492 E 2.747 F 2.37 G 2.126 J 1.856 K 1.584 ASSIGNED BY CH-COSY
Hz ppm Int.2922.61 7.313 715 2918.09 7.302 1000 2914.31 7.293 48 2907.10 7.275 36 2903.08 7.265 89 2899.54 7.256 101 2898.32 7.253 88 2894.53 7.243 95 2891.24 7.235 44 2890.38 7.233 34 2889.53 7.231 49 1472.05 3.684 30 1467.16 3.672 41 1462.77 3.661 53 1458.37 3.650 39 1395.87 3.493 782 1107.79 2.772 46 1104.25 2.764 73 1098.27 2.749 65 1092.65 2.735 79 1088.87 2.725 48 945.68 2.367 90 861.57 2.156 46 859.25 2.151 49 849.73 2.127 87 839.97 2.102 48 837.89 2.097 46 753.91 1.887 38 750.61 1.879 69 748.29 1.873 60 747.44 1.871 61 746.46 1.868 68 744.14 1.862 47 743.04 1.860 61 741.09 1.855 65 739.87 1.852 55 737.79 1.847 85 735.96 1.842 73 733.64 1.836 80 730.35 1.828 38 649.54 1.626 49 645.75 1.616 48 640.14 1.602 71 639.65 1.601 70 636.47 1.593 102 632.93 1.584 50 630.25 1.578 53 626.71 1.569 91 623.66 1.561 57 617.43 1.545 35 613.65 1.536 34
in CDCl3
KBr disc
nujol mull
