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768-59-2

4-乙基苄醇(768-59-2)Raman光谱

产品名称:4-乙基苄醇

CAS:768-59-2

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h3-6,10H,2,7H2,1H3

InChIKey: YSLBFFIVJGJBSA-UHFFFAOYSA-N

Smiles:C1(CO)=CC=C(CC)C=C1

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    Mass

    MS-NW-7422          
    4-ethylbenzyl alcohol
    C9H12O              (Mass of molecular ion:    136)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.2
          28.0       1.2
          29.0       5.3
          31.0       2.3
          38.0       1.3
          39.0       8.7
          40.0       1.1
          41.0       4.2
          50.0       4.3
          51.0      10.0
          52.0       2.8
          53.0       3.9
          55.0       1.0
          60.0       2.4
          60.5       1.0
          62.0       2.2
          63.0       5.4
          64.0       1.4
          65.0       7.6
          66.0       1.5
          67.0       1.0
          74.0       1.8
          75.0       1.6
          76.0       1.3
          77.0      34.3
          78.0       7.3
          79.0      72.2
          80.0       5.4
          89.0       3.8
          90.0       1.9
          91.0      29.5
          92.0       3.7
          93.0       9.3
         102.0       1.8
         103.0       9.2
         104.0       5.0
         105.0      28.3
         106.0       3.7
         107.0     100.0
         108.0       8.3
         115.0       2.9
         117.0       5.9
         118.0       5.0
         119.0       9.0
         120.0       6.5
         121.0      15.1
         122.0       1.5
         133.0       2.6
         134.0       1.3
         135.0       9.7
         136.0      56.4
         137.0       6.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H12 O 0.05 ml : 0.5 ml CDCl3
    4-ethylbenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.190 B 7.134 C 4.500 D 2.91 E 2.608 F 1.204 90MHZ : HSP-05-117

         Hz     ppm     Int.
    

       2885.01   7.219     25
       2878.78   7.204    245
       2870.61   7.183    462
       2862.30   7.163     35
       2861.08   7.159     33
       2854.13   7.142    460
       2846.07   7.122    258
       1798.71   4.501    765
       1161.74   2.907    208
       1053.59   2.637    126
       1046.02   2.618    327
       1038.33   2.599    336
       1030.76   2.580    131
        489.14   1.224    559
        481.45   1.205   1000
        473.88   1.186    572
    

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    1H NMR 89.56 MHz
    C9 H12 O 0.05 ml : 0.5 ml CDCl3
    4-ethylbenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.19 B 7.13 C 4.503 D 2.84 E 2.603 F 1.209 400MHZ : HSP-42-240

         Hz     ppm     Int.
    

        650.50   7.264     61
        649.50   7.253     50
        641.75   7.166   1000
        640.88   7.156    946
        637.75   7.121    130
        634.94   7.090     80
        633.13   7.070     75
        632.06   7.058     84
        403.31   4.504    864
        254.56   2.843    838
        245.19   2.738     86
        237.56   2.653    266
        230.00   2.569    297
        222.50   2.485    117
        115.31   1.288    426
        107.94   1.206    840
        100.19   1.119    328
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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