91-48-5

苯可丁酸乙酸酯(91-48-5)质谱(MS)

产品名称:苯可丁酸乙酸酯

CAS:91-48-5

分子式:C15H12O2

分子量: 224.26

InChI:InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+

InChIKey: BIDDLDNGQCUOJQ-SDNWHVSQSA-N

Smiles:C(/C1C=CC=CC=1)(\C(=O)O)=C/C1C=CC=CC=1

IR1

IR2

Raman

Mass

MS-NW-8093          
(E)-alpha-phenylcinnamic acid
C15H12O2            (Mass of molecular ion:    224)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.3
      27.0       1.9
      28.0       1.3
      39.0       4.7
      44.0       1.2
      50.0       4.3
      51.0      14.3
      52.0       2.6
      62.0       2.0
      63.0       6.4
      65.0       2.2
      74.0       3.6
      75.0       5.0
      76.0      14.1
      76.5       1.6
      77.0      13.4
      78.0       3.0
      79.0      13.8
      82.0       1.1
      82.5       1.4
      83.0       1.9
      86.0       1.2
      87.0       2.0
      88.0       6.1
      88.5       2.0
      89.0      17.0
      89.5       2.6
      90.0      19.6
      91.0       6.4
      92.0       1.8
      94.0       1.1
      98.0       1.4
     101.0       1.7
     102.0       6.1
     103.0       3.0
     105.0       2.3
     107.0      15.1
     108.0       1.2
     113.0       1.0
     115.0       2.0
     118.0      37.8
     119.0       3.8
     126.0       2.6
     127.0       1.7
     128.0       1.5
     139.0       2.5
     150.0       3.1
     151.0       7.4
     152.0      13.5
     153.0       2.9
     165.0       7.0
     166.0       1.5
     167.0       2.6
     175.0       1.4
     176.0      13.4
     177.0      13.6
     178.0      71.0
     179.0     100.0
     180.0      18.6
     181.0       2.2
     205.0       8.7
     206.0       5.4
     207.0       1.9
     209.0       1.2
     223.0       5.3
     224.0      92.3
     225.0      15.9
     226.0       1.7

KBr disc