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2528-16-7

邻苯二甲酸单苄酯(2528-16-7)红外图谱(IR2)

分子式:C15H12O4

分子量: 256.25

InChI:InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

InChIKey: XIKIUQUXDNHBFR-UHFFFAOYSA-N

Smiles:C1(C(OCC2=CC=CC=C2)=O)=CC=CC=C1C(O)=O

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    Mass

    MS-IW-5661          
    benzyl hydrogen phthalate
    C15H12O4            (Mass of molecular ion:    256)
    

       Source Temperature: 170 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       4.1
          27.0       2.5
          28.0       4.3
          29.0       1.6
          31.0       1.5
          37.0       5.6
          37.5       2.3
          38.0      10.6
          39.0       9.2
          41.0       1.2
          44.0       2.5
          49.0       2.8
          50.0      27.7
          51.0      15.5
          52.0       9.3
          53.0       5.3
          53.5       1.9
          54.0       1.4
          61.0       1.6
          62.0       2.2
          63.0       5.0
          64.0       1.6
          65.0      16.9
          66.0       1.6
          73.0       2.7
          74.0      10.2
          75.0       6.9
          76.0      48.4
          77.0      40.9
          78.0       9.7
          79.0      75.1
          80.0       7.1
          89.0       7.3
          90.0       9.2
          91.0      51.4
          92.0       6.9
          93.0       4.5
         104.0      57.4
         105.0      19.8
         106.0       3.9
         107.0      70.7
         108.0     100.0
         109.0       7.9
         121.0       3.4
         122.0      31.2
         123.0       2.7
         132.0       4.5
         148.0      42.2
         149.0      37.0
         150.0      63.4
         151.0       5.8
         152.0       1.0
         165.0       1.5
         256.0       1.6
    

in DMSO-d6

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KBr disc

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nujol mull

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