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3597-91-9

4-联苯甲醇(3597-91-9)红外图谱(IR1)

产品名称:4-联苯甲醇

CAS:3597-91-9

分子式:C13H12O

分子量: 184.23

InChI:InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2

InChIKey: AXCHZLOJGKSWLV-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(CO)C=C1

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    Mass

    MS-NW-9700          
    4-phenylbenzyl alcohol
    C13H12O             (Mass of molecular ion:    184)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       1.5
          18.0       8.1
          39.0       2.3
          50.0       2.1
          51.0       6.7
          52.0       1.2
          62.0       1.3
          63.0       4.6
          64.0       1.2
          65.0       1.5
          69.5       1.1
          74.0       2.0
          75.0       2.8
          76.0       6.1
          76.5       1.1
          77.0      21.8
          78.0      10.3
          79.0       9.1
          82.0       1.8
          82.5       1.8
          87.0       1.2
          89.0       2.2
          91.0       3.1
          91.5       2.3
          92.0       3.0
         101.0       1.0
         102.0       2.1
         105.0       4.7
         106.0       2.4
         107.0      10.7
         115.0       8.9
         116.0       1.3
         126.0       2.6
         127.0       5.5
         128.0       6.6
         129.0       5.5
         139.0       2.4
         141.0       3.1
         150.0       2.3
         151.0       7.2
         152.0      26.2
         153.0      21.8
         154.0      10.6
         155.0      77.9
         156.0      12.7
         157.0       1.2
         163.0       1.4
         164.0       2.0
         165.0      22.7
         166.0      17.0
         167.0      17.9
         168.0       3.5
         169.0       3.0
         181.0       4.8
         182.0       3.2
         183.0      28.3
         184.0     100.0
         185.0      14.0
         186.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H12 O 0.036 g : 0.5 ml CDCl3
    4-phenylbenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.57 B 7.42 C 7.40 D 7.337 E 4.687 F 2.10

         Hz     ppm     Int.
    

       3031.01   7.585    356
       3029.54   7.581    513
       3028.69   7.579    579
       3026.86   7.574    261
       3022.46   7.563    619
       3021.24   7.560    606
       3020.26   7.558    682
       3013.92   7.542     56
       2974.98   7.444    172
       2974.12   7.442    240
       2972.29   7.438    116
       2966.92   7.424    499
       2965.58   7.421    283
       2961.91   7.412    542
       2959.23   7.405    411
       2957.15   7.400    158
       2955.44   7.396    210
       2953.98   7.392    385
       2953.49   7.391    412
       2939.58   7.356    120
       2938.35   7.353    207
       2937.01   7.349    129
       2932.98   7.339     96
       2930.91   7.334    234
       2928.83   7.329     88
       2924.93   7.319     67
       2923.71   7.316     99
       2922.36   7.313     62
       1873.66   4.689   1000
        840.82   2.104    113
    

in CDCl3

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KBr disc

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nujol mull

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