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Back ChemicalBook Home>CAS DataBase List>51304-58-6More Spectrum> 4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6) 13C NMR

4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6) 13C NMR

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


  • Mass

    MS-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


  • 1H NMR 399.65 MHz
    C12 H14 N2 0.040 g : 0.5 ml DMSO-d6
    4-phenyl-4-piperidinecarbonitrile hydrochloride
    ChemicalStructure
        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





4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6) 13C NMR Atlas of Related Products

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