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122-79-2

乙酸苯酯(122-79-2)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸苯酯

CAS:122-79-2

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC=C1)(=O)C

  • 圖譜
    Mass 

    MS-NW-0018          
phenyl acetate
C8H8O2              (Mass of molecular ion:    136)


       Source Temperature: 200 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV


          14.0       1.0
      15.0       4.6
      18.0       4.8
      27.0       1.4
      28.0       2.2
      29.0       1.3
      37.0       1.1
      38.0       2.7
      39.0      11.0
      40.0       4.3
      42.0       1.8
      43.0      24.7
      45.0       8.7
      47.0       1.4
      50.0       2.1
      51.0       2.8
      55.0       3.2
      56.0       1.3
      60.0       6.8
      62.0       1.2
      63.0       2.5
      64.0       1.0
      65.0      10.0
      66.0      14.5
      77.0       1.6
      84.0       1.0
      93.0       1.3
      94.0     100.0
      95.0       6.9
     136.0       9.8

in DMSO_d6

  • 圖譜
    1HNMR (400 MHz, DMSO) δ 12.35 (s, H), 7.29 (m, 5H), 3.59 (s, 2H);

in CDCl3

in DMSO_d6

  • 圖譜

  • 圖譜
    13CNMR (100MHz, DMSO) δ 173.19, 135.50, 129.85, 128.71, 127.05, 41.18.

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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