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Back ChemicalBook Home>CAS DataBase List>587-03-1More Spectrum> 3-Methylbenzyl alcohol(587-03-1) 13C NMR

587-03-1

3-Methylbenzyl alcohol(587-03-1) 13C NMR

Molecular FormulaC8H10O

Molecular Weight122.16

InChIInChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

InChIKey JJCKHVUTVOPLBV-UHFFFAOYSA-N

SmilesC1(CO)=CC=CC(C)=C1

  • 3-Methylbenzyl alcohol(587-03-1) <sup>13</sup>C NMR
    Mass

    MS-NW-5461          
    3-methylbenzyl alcohol
    C8H10O              (Mass of molecular ion:    122)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.7
          27.0       6.4
          28.0       2.8
          29.0       3.1
          31.0       3.1
          37.0       1.4
          38.0       3.2
          39.0      18.3
          40.0       2.0
          41.0       5.1
          43.0       1.4
          45.0       1.1
          50.0       6.0
          51.0      13.3
          52.0       3.9
          53.0       4.4
          55.0       1.1
          60.0       6.8
          60.5       1.8
          61.0       1.6
          62.0       4.3
          63.0       9.7
          64.0       2.4
          65.0      17.5
          66.0       2.0
          74.0       1.8
          75.0       1.4
          76.0       1.2
          77.0      47.7
          78.0      11.9
          79.0      50.6
          80.0       3.7
          89.0       4.7
          90.0       1.9
          91.0      50.3
          92.0       6.0
          93.0      54.5
          94.0       5.1
         102.0       1.4
         103.0       7.4
         104.0      16.6
         105.0      13.7
         106.0       2.8
         107.0      80.4
         108.0       6.5
         119.0       5.4
         120.0       2.7
         121.0      19.3
         122.0     100.0
         123.0       9.5
    

90 MHz in CDCl3

  • 3-Methylbenzyl alcohol(587-03-1) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C8 H10 O 0.04 ml : 0.5 ml CDCl3
    3-methylbenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.37 to 6.99 B 4.625 C 2.349 D 1.82

         Hz     ppm     Int.
    

        650.50   7.264     30
        649.63   7.254     87
        648.13   7.237    117
        645.94   7.213     48
        644.94   7.202     70
        643.25   7.183    386
        642.25   7.172    269
        641.63   7.165    312
        641.13   7.159    363
        640.63   7.154    288
        639.38   7.140    161
        638.81   7.133    153
        636.75   7.110     77
        636.13   7.103     69
        635.50   7.096     57
        635.00   7.091     50
        634.38   7.084     37
        631.06   7.047     30
        630.69   7.043     33
        414.25   4.626    567
        210.69   2.353    808
        210.13   2.347    784
        162.69   1.817   1000
    

in CDCl3

  • 3-Methylbenzyl alcohol(587-03-1) <sup>13</sup>C NMR

liquid film

  • 3-Methylbenzyl alcohol(587-03-1) <sup>13</sup>C NMR

4880 A,200 M,liquid

  • 3-Methylbenzyl alcohol(587-03-1) <sup>13</sup>C NMR

3-Methylbenzyl alcohol(587-03-1) 13C NMR Atlas of Related Products

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