4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6) IR1
Product Name4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE
CAS51304-58-6
Molecular FormulaC12H15ClN2
Molecular Weight222.72
InChIInChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
InChIKey CQPHZBOPSZGTJM-UHFFFAOYSA-N
SmilesC1(C#N)(CCNCC1)C1C=CC=CC=1.Cl
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MassMS-NW-8209 4-phenyl-4-piperidinecarbonitrile hydrochloride C12H14N2 HCl (Mass of molecular ion: 186)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 3.7 28.0 17.1 29.0 13.1 30.0 12.3 35.0 3.5 36.0 22.3 37.0 1.2 38.0 7.7 39.0 4.0 41.0 2.3 42.0 12.5 43.0 90.4 44.0 5.8 50.0 2.5 51.0 7.4 52.0 2.5 53.0 4.1 54.0 1.7 55.0 1.6 56.0 81.7 57.0 100.0 58.0 3.8 62.0 1.0 63.0 3.2 64.0 1.2 65.0 2.7 68.0 2.2 69.0 2.3 74.0 1.0 75.0 1.8 76.0 2.6 77.0 9.1 78.0 3.7 79.0 1.0 80.0 1.9 82.0 2.1 89.0 2.7 91.0 9.8 92.0 2.5 93.0 1.0 95.0 6.1 101.0 1.5 102.0 4.9 103.0 6.6 104.0 1.6 105.0 2.0 106.0 3.0 107.0 2.3 108.0 12.1 109.0 2.7 115.0 8.0 116.0 3.8 117.0 1.9 118.0 1.1 119.0 2.9 127.0 2.0 128.0 5.2 129.0 8.0 130.0 4.5 131.0 1.2 140.0 1.7 142.0 1.0 143.0 1.9 144.0 1.2 154.0 1.0 155.0 2.6 156.0 1.4 157.0 1.1 158.0 4.5 159.0 9.4 160.0 1.3 185.0 16.2 186.0 88.0 187.0 12.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N2 0.040 g : 0.5 ml DMSO-d6 4-phenyl-4-piperidinecarbonitrile hydrochloride 
Assign. Shift(ppm)
A 9.71 B 7.560 C 7.510 D 7.437 E 3.51 F 3.102 G 2.51 J 2.376 SIGNAL E OVERLAPPED BY H2O SIGNAL G OVERLAPPED BY SOLVENT
Hz ppm Int.3879.85 9.709 136 3027.80 7.577 389 3026.28 7.573 548 3018.34 7.553 1000 3008.42 7.528 579 3001.10 7.510 852 2993.16 7.490 436 2986.76 7.474 32 2986.30 7.473 31 2985.53 7.471 30 2984.62 7.469 31 2982.94 7.464 34 2982.33 7.463 33 2980.80 7.459 37 2976.07 7.447 351 2974.85 7.444 238 2971.04 7.435 169 2968.90 7.429 416 2961.88 7.412 150 1410.22 3.529 360 1396.64 3.495 477 1251.68 3.132 235 1240.54 3.105 391 1238.56 3.100 408 1227.57 3.072 219 1225.59 3.067 204 1019.90 2.552 164 1015.32 2.541 229 1005.86 2.517 373 1002.66 2.509 345 992.58 2.484 253 988.92 2.475 220 955.20 2.391 507 941.16 2.355 325
in DMSO-d6
KBr disc
