2759-28-6

1-芐基哌嗪(2759-28-6)質(zhì)譜(MS)

產(chǎn)品名稱:1-芐基哌嗪

CAS:2759-28-6

分子式:C11H16N2

分子量: 176.26

InChI:InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2

InChIKey: IQXXEPZFOOTTBA-UHFFFAOYSA-N

Smiles:N1(CC2=CC=CC=C2)CCNCC1

Mass

MS-NW-5815          
1-benzylpiperazine
C11H16N2            (Mass of molecular ion:    176)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.1
      26.0       1.1
      27.0       2.3
      28.0       6.0
      29.0       4.6
      30.0       5.1
      39.0       3.7
      41.0       3.2
      42.0       9.1
      43.0       2.5
      44.0       3.2
      51.0       2.4
      54.0       1.5
      55.0       2.0
      56.0      24.5
      57.0       5.6
      58.0       5.5
      63.0       1.9
      65.0       8.7
      71.0       1.9
      77.0       1.6
      80.0       1.5
      83.0       1.6
      85.0      14.2
      86.0       1.0
      89.0       1.7
      90.0       1.4
      91.0     100.0
      92.0       8.8
      99.0       2.3
     104.0       3.1
     105.0       1.6
     118.0       4.4
     119.0       3.3
     120.0       7.5
     121.0       1.5
     131.0       2.1
     132.0       2.3
     133.0       2.9
     134.0      78.9
     135.0       8.6
     146.0       4.6
     147.0       2.6
     175.0       2.6
     176.0      19.1
     177.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ N₂	0.04 ml : 0.5 ml CDCl₃
1-benzylpiperazine

    Assign.     Shift(ppm)

      A          7.39 to 7.18
      B             3.473
      C             2.86
      D             2.39
      E             1.56

     Hz     ppm     Int.

    658.94   7.358     72
    654.94   7.313    186
    652.50   7.286   1000
    649.75   7.255    197
    647.63   7.232     53
    645.56   7.209     28
    644.63   7.198     31
    313.13   3.497     25
    311.06   3.474    779
    261.25   2.918    226
    257.06   2.871    269
    251.56   2.809    380
    218.69   2.442    340
    215.81   2.410    154
    213.63   2.386    280
    209.06   2.335    197
    139.25   1.555    464

in CDCl3

liquid film

4880 A,200 M,liquid

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1-芐基哌嗪(2759-28-6)質(zhì)譜(MS)