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51639-48-6

对呱嗪苯乙酰(51639-48-6)核磁图(13CNMR)

产品名称:对呱嗪苯乙酰

CAS:51639-48-6

分子式:C12H16N2O

分子量: 204.27

InChI:InChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3

InChIKey: KPXVKKBJROCIJB-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(N2CCNCC2)C=C1)C

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    Mass

    MS-NW-7350          
    4'-(1-piperazinyl)acetophenone
    C12H16N2O           (Mass of molecular ion:    204)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          28.0       2.2
          29.0       2.2
          30.0       1.5
          42.0       1.6
          43.0       3.6
          50.0       1.0
          51.0       1.6
          56.0       6.1
          57.0       3.4
          76.0       1.5
          77.0       3.8
          78.0       1.5
          90.0       1.0
          91.0       1.6
         102.0       1.3
         104.0       2.4
         105.0       1.7
         118.0       1.6
         119.0       2.6
         120.0       1.1
         132.0      10.9
         133.0       2.3
         146.0       1.2
         147.0       1.1
         148.0       2.1
         162.0     100.0
         163.0      11.8
         189.0       1.7
         203.0       1.3
         204.0      35.5
         205.0       5.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H16 N2 O 0.042 g : 0.5 ml CDCl3
    4'-(1-piperazinyl)acetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.860 B 6.856 C *1 3.292 D *1 3.010 E 2.507 F 2.08 F CONTAINS H2O IN SOLVENT. ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

        709.00   7.917    158
        706.88   7.893     50
        702.00   7.839     51
        699.81   7.814    190
        618.31   6.904    149
        616.13   6.880     46
        611.38   6.827     41
        609.13   6.802    120
        301.13   3.363     64
        297.44   3.322    118
        294.13   3.285    101
        291.75   3.258    110
        290.31   3.242    100
        274.81   3.069     90
        273.44   3.054    106
        271.13   3.028    101
        267.69   2.989    117
        264.06   2.949     68
        263.50   2.943     65
        224.63   2.509   1000
        186.13   2.079    208
    

in CDCl3

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KBr disc

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nujol mull

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