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13211-01-3

4-丁酰基联苯(13211-01-3)质谱(MS)

产品名称:4-丁酰基联苯

CAS:13211-01-3

分子式:C16H16O

分子量: 224.3

InChI:InChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3

InChIKey: WOFNMZNJGZJHJO-UHFFFAOYSA-N

Smiles:C(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCC

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    Mass

    MS-KW-0229          
    4'-phenylbutyrophenone
    C16H16O             (Mass of molecular ion:    224)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.3
          39.0       1.0
          41.0       1.2
          43.0       1.5
          51.0       2.0
          63.0       2.1
          75.0       1.5
          75.5       1.2
          76.0       7.2
          76.5       2.4
          77.0       2.6
          89.0       1.1
          90.5       2.4
          91.0       1.3
          98.0       2.7
         101.0       1.2
         102.0       1.3
         126.0       1.7
         127.0       3.5
         128.0       1.2
         150.0       1.7
         151.0       7.3
         152.0      30.3
         153.0      24.0
         154.0       3.6
         165.0       1.8
         181.0     100.0
         182.0      14.4
         183.0       1.2
         189.0       2.1
         191.0       7.6
         192.0       1.3
         196.0       6.5
         197.0       1.0
         205.0       1.9
         206.0       7.6
         207.0       1.6
         224.0      18.7
         225.0       3.4
    

400 MHz in CDCl3

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in CDCl3

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KBr disk

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Nujol

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