4-(4-Bromophenyl)-4-piperidinol(57988-58-6) MS
Product Name4-(4-Bromophenyl)-4-piperidinol
CAS57988-58-6
Molecular FormulaC11H14BrNO
Molecular Weight256.14
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChIKey QNLXJYQUWCNYBH-UHFFFAOYSA-N
SmilesN1CCC(C2=CC=C(Br)C=C2)(O)CC1
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MassMS-IW-7697 4-(p-bromophenyl)-4-piperidinol C11H14BrNO (Mass of molecular ion: 255)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.7 17.0 1.4 18.0 7.3 27.0 4.1 28.0 13.4 29.0 8.1 30.0 34.2 39.0 4.2 41.0 5.4 42.0 100.0 43.0 21.4 44.0 34.7 45.0 1.5 50.0 7.0 51.0 9.4 52.0 1.9 53.0 2.6 54.0 1.4 55.0 3.5 56.0 46.3 57.0 55.1 58.0 5.3 60.0 2.9 62.0 1.9 63.0 7.0 63.5 1.5 64.0 3.3 65.0 3.4 68.0 5.6 70.0 1.9 71.0 1.2 72.0 1.4 74.0 4.6 75.0 10.2 76.0 8.5 76.5 1.0 77.0 12.1 77.5 2.8 78.0 3.1 78.5 1.8 79.0 2.0 80.0 5.7 81.0 4.2 82.0 23.7 83.0 1.9 84.0 3.9 86.0 1.2 87.0 1.2 87.5 1.5 88.0 1.3 89.0 4.4 90.0 4.4 91.0 6.1 98.0 2.6 99.0 4.3 100.0 1.2 101.0 5.9 102.0 11.4 103.0 4.7 104.0 3.1 105.0 1.6 114.0 2.5 115.0 16.3 116.0 9.8 117.0 3.8 117.5 1.0 118.0 1.3 126.0 4.0 127.0 15.1 128.0 16.8 129.0 37.0 130.0 13.4 131.0 7.1 132.0 2.4 133.0 2.0 141.0 1.0 143.0 2.6 153.0 2.2 154.0 9.3 155.0 6.5 156.0 4.3 157.0 6.1 158.0 36.9 159.0 8.2 169.0 6.8 171.0 6.4 180.0 1.1 181.0 2.6 182.0 4.4 183.0 14.2 184.0 5.4 185.0 11.7 186.0 2.0 193.0 2.1 195.0 3.7 196.0 3.1 197.0 2.0 198.0 8.5 199.0 2.0 200.0 5.6 201.0 1.2 208.0 11.0 209.0 5.0 210.0 15.3 211.0 6.1 212.0 5.4 213.0 1.6 222.0 2.0 223.0 1.0 224.0 2.2 225.0 2.8 226.0 1.9 227.0 8.1 228.0 2.1 229.0 5.9 233.0 31.6 234.0 5.7 235.0 31.8 236.0 40.0 237.0 81.4 238.0 45.3 239.0 81.1 240.0 11.9 241.0 1.5 250.0 1.3 251.0 1.0 252.0 1.7 253.0 1.0 254.0 5.0 255.0 27.3 256.0 8.4 257.0 27.3 258.0 3.6 267.0 2.4 269.0 2.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H14 Br N O 0.039 g : 0.5 ml DMSO-d6 4-(p-bromophenyl)-4-piperidinol 
Assign. Shift(ppm)
A 7.496 B 7.423 C 4.96 D 2.907 E 2.716 F 1.82 G 1.752 J 1.487
Hz ppm Int.3003.54 7.516 96 3001.22 7.510 558 2999.39 7.506 241 2994.51 7.493 312 2992.55 7.488 1000 2990.23 7.483 205 2972.53 7.438 185 2970.34 7.433 937 2968.38 7.428 309 2963.50 7.416 230 2961.67 7.411 556 2959.23 7.405 103 1982.54 4.961 106 1176.27 2.944 129 1174.19 2.939 155 1170.41 2.929 54 1169.56 2.927 53 1164.31 2.914 316 1162.23 2.909 329 1152.22 2.884 211 1150.15 2.878 193 1090.09 2.728 265 1079.35 2.701 209 1078.13 2.698 204 1077.76 2.697 204 715.21 1.790 154 710.69 1.779 168 702.27 1.758 276 698.12 1.747 273 690.06 1.727 179 685.42 1.716 158
in DMSO-d6
KBr disc
nujol mull
