1-(2-Chloroethyl)piperidine hydrochloride(2008-75-5) ¹³C NMR

Product Name1-(2-Chloroethyl)piperidine hydrochloride

CAS 2008-75-5

Molecular FormulaC7H15Cl2N

Molecular Weight184.11

InChIInChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H

InChIKey VFLQQZCRHPIGJU-UHFFFAOYSA-N

SmilesN1(CCCl)CCCCC1.Cl

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Mass

MS-NW-7039          
N-(2-chloroethyl)piperidine hydrochloride
C7H14ClN HCl        (Mass of molecular ion:    147)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.2
      18.0       2.1
      26.0       1.0
      27.0       9.4
      28.0       6.7
      29.0       3.4
      30.0       3.5
      35.0       2.6
      36.0      16.1
      38.0       5.2
      39.0       3.7
      41.0      12.6
      42.0      19.6
      43.0       2.1
      44.0       6.5
      53.0       1.2
      54.0       2.3
      55.0      12.5
      56.0       3.9
      57.0       1.4
      63.0       2.9
      65.0       1.0
      69.0       4.1
      70.0       4.8
      83.0       1.0
      84.0       1.1
      96.0       1.7
      98.0     100.0
      99.0       6.9
     118.0       1.7
     146.0       2.6
     147.0       4.8
     148.0       1.2
     149.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₄ Cl N	0.039 g : 0.5 ml CDCl₃
N-(2-chloroethyl)piperidine hydrochloride

    Assign.     Shift(ppm)

      A            12.4
      B             4.114
      C             3.596
      D             3.43
      E             2.946
      F             2.236
      G             1.89
      J             1.499

     Hz     ppm     Int.

   4951.72  12.391     36
   1651.25   4.132    516
   1644.47   4.115   1000
   1637.87   4.099    575
   1443.54   3.613    157
   1437.49   3.597     80
   1431.45   3.582    176
   1379.43   3.452    172
   1374.30   3.439    222
   1372.83   3.436    332
   1367.70   3.423    335
   1366.24   3.419    217
   1360.93   3.406    165
   1196.81   2.995     58
   1194.25   2.989     63
   1184.72   2.965    161
   1181.97   2.958    129
   1178.68   2.950     45
   1175.20   2.941    130
   1172.63   2.935    165
   1163.11   2.911     68
   1161.46   2.907     58
   1160.36   2.904     63
    915.28   2.291     46
    911.44   2.281     36
    903.74   2.262    105
    902.64   2.259    110
    900.26   2.253    112
    898.80   2.249    100
    894.95   2.240     45
    891.47   2.231    108
    889.82   2.227    112
    887.62   2.221    126
    882.86   2.210     47
    880.85   2.205     35
    880.30   2.203     36
    878.83   2.199     47
    877.55   2.196     40
    875.17   2.190     58
    872.06   2.183     35
    871.69   2.182     35
    760.51   1.903    246
    758.86   1.899    241
    749.15   1.875    228
    747.14   1.870    227
    612.69   1.534     30
    606.28   1.518     51
    605.00   1.514     60
    603.35   1.510     65
    600.24   1.502     65
    594.01   1.487     59
    590.90   1.479     60
    589.25   1.475     52
    587.96   1.472     46

in CDCl3