13211-01-3

4-Phenylbutyrophenone(13211-01-3) MS

Product Name4-Phenylbutyrophenone

CAS 13211-01-3

Molecular FormulaC16H16O

Molecular Weight224.3

InChIInChI=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

SmilesC(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCC

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4-Phenylbutyrophenone(13211-01-3) MS
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