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120-47-8

尼泊金乙酯(120-47-8)Raman光谱

产品名称:尼泊金乙酯

CAS:120-47-8

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3811          
    ethyl p-hydroxybenzoate
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       4.4
          29.0       4.0
          38.0       2.1
          39.0      11.5
          50.0       1.0
          53.0       1.7
          62.0       1.2
          63.0       3.5
          64.0       2.5
          65.0      16.9
          66.0       1.5
          92.0       2.3
          93.0      15.0
          94.0       2.0
         109.0       1.0
         121.0     100.0
         122.0      11.5
         123.0       1.1
         138.0      21.2
         139.0       1.8
         151.0       1.5
         166.0      23.2
         167.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O3 0.057 g : 0.5 ml CDCl3
    ethyl p-hydroxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.954 B 7.70 C 6.926 D 4.364 E 1.386

         Hz     ppm     Int.
    

        719.75   8.037     65
        717.13   8.008    441
        715.00   7.984    135
        710.38   7.932    168
        708.19   7.908    503
        705.63   7.879     68
        690.00   7.705    390
        627.13   7.003     74
        624.44   6.973    525
        622.31   6.949    148
        617.63   6.897    147
        615.50   6.873    427
        612.75   6.842     59
        402.06   4.490    121
        401.94   4.488    121
        394.81   4.409    424
        387.69   4.329    446
        380.63   4.251    145
        131.13   1.465    463
        128.06   1.430     50
        127.75   1.427     50
        127.25   1.421     53
        124.06   1.386   1000
        121.69   1.359     63
        119.38   1.333     51
        116.88   1.306    418
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,150M,powder

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