70849-60-4

1-(2-甲基苯基)哌嗪鹽酸鹽(70849-60-4)質(zhì)譜(MS)

產(chǎn)品名稱:1-(2-甲基苯基)哌嗪鹽酸鹽

CAS:70849-60-4

分子式:C11H17ClN2

分子量: 212.72

InChI:InChI=1S/C11H16N2.ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

InChIKey: LZNYIWJDVYCKDU-UHFFFAOYSA-N

Smiles:N1(CCNCC1)C1=CC=CC=C1C.Cl

Mass

MS-NW-8042          
1-(o-tolyl)piperazine hydrochloride
C11H16N2 HCl        (Mass of molecular ion:    176)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.4
      27.0       1.4
      28.0       5.7
      29.0       4.5
      30.0       3.0
      35.0       1.6
      36.0      15.7
      38.0       5.3
      39.0       2.5
      41.0       1.5
      42.0       2.5
      51.0       1.6
      56.0       8.6
      57.0       5.6
      63.0       1.2
      65.0       5.2
      77.0       2.0
      88.0       1.2
      89.0       1.4
      91.0       8.9
      92.0       1.0
     105.0       2.0
     117.0       2.8
     118.0      16.9
     119.0       6.0
     120.0       5.5
     121.0       1.2
     130.0       1.0
     132.0       3.8
     134.0     100.0
     135.0      10.3
     146.0       1.2
     176.0      33.6
     177.0       4.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₆ N₂	0.035 g : 0.5 ml DMSO-d₆
1-(o-tolyl)piperazine hydrochloride

    Assign.     Shift(ppm)

      A             9.61
      B             7.19
      C             7.18
      D             7.028
      E             7.01
      F             3.20
      G             3.07
      J             2.253

     Hz     ppm     Int.

   3841.71   9.613     92
   2877.35   7.200    173
   2869.87   7.181    238
   2861.63   7.161     84
   2812.35   7.038    163
   2808.69   7.028    121
   2804.57   7.018    139
   2801.36   7.010    161
   2794.04   6.992     66
   2793.12   6.989     62
   1278.84   3.200    298
   1274.57   3.190    263
   1229.71   3.077    334
   1224.52   3.064    343
   1219.94   3.053    229
    900.88   2.255   1000

in DMSO-d6