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6306-07-6

1-羟基苊(6306-07-6)质谱(MS)

产品名称:1-羟基苊

CAS:6306-07-6

分子式:C12H10O

分子量: 170.21

InChI:InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2

InChIKey: MXUCIEHYJYRTLT-UHFFFAOYSA-N

Smiles:C1(O)C2C3C(C=CC=2)=CC=CC=3C1

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    Mass

    MS-NW-9438          
    1-acenaphthenol
    C12H10O             (Mass of molecular ion:    170)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.5
          39.0       1.7
          50.0       1.6
          51.0       2.1
          57.5       2.5
          62.0       1.9
          63.0       7.3
          69.0       2.6
          69.5       4.2
          70.0       5.4
          70.5       2.2
          71.0       1.7
          74.0       2.3
          75.0       4.7
          75.5       3.3
          76.0      11.9
          76.5       2.1
          77.0       1.6
          84.0       8.3
          84.5       6.3
          85.0       7.5
          86.0       1.2
          87.0       1.7
          89.0       2.3
          98.0       1.0
         106.0       1.1
         113.0       1.5
         114.0       1.1
         115.0      12.3
         116.0       1.2
         126.0       2.2
         127.0       3.6
         139.0      11.5
         140.0       4.9
         141.0      27.1
         142.0       4.7
         150.0       6.5
         151.0      11.8
         152.0      50.7
         153.0      29.3
         154.0       3.9
         155.0       4.4
         168.0       5.1
         169.0      91.4
         170.0     100.0
         171.0      12.6
         172.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H10 O 13 mg : 0.5 ml CDCl3
    1-acenaphthenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.743 B 7.649 C 7.537 D 7.52 E 7.486 F 7.296 G 5.699 J *1 3.775 K *1 3.220 L 2.04

         Hz     ppm     Int.
    

       3099.49   7.756    242
       3099.12   7.755    242
       3097.78   7.752    292
       3092.29   7.738    235
       3091.55   7.736    257
       3090.58   7.734    296
       3062.01   7.662    305
       3061.16   7.660    301
       3053.71   7.641    393
       3052.86   7.639    384
       3021.97   7.562    261
       3015.01   7.545    680
       3007.69   7.526   1000
       3006.47   7.523    519
       3005.74   7.521    423
       3001.22   7.510    137
       3000.24   7.508    156
       2998.90   7.504    430
       2992.07   7.487    444
       2990.72   7.484    294
       2983.76   7.466    337
       2919.43   7.305    304
       2918.58   7.303    294
       2912.60   7.288    251
       2911.87   7.287    244
       2282.59   5.712    219
       2281.74   5.710    155
       2280.03   5.706    231
       2279.30   5.704    140
       2275.39   5.694    233
       2274.54   5.692    165
       2272.95   5.688    227
       2272.09   5.686    134
       1522.83   3.811    111
       1521.73   3.808    158
       1520.63   3.805    104
       1515.63   3.793    112
       1514.65   3.790    158
       1513.55   3.788    103
       1505.13   3.767    133
       1504.03   3.764    188
       1503.05   3.761    124
       1498.05   3.749    127
       1496.95   3.746    180
       1495.85   3.743    117
       1296.88   3.246    136
       1295.90   3.243    200
       1294.68   3.240    227
       1293.46   3.237    193
       1292.36   3.234    124
       1279.17   3.201    117
       1278.20   3.199    171
       1276.98   3.196    193
       1275.76   3.193    164
       1274.54   3.190    104
        817.26   2.045     60
    

in CDCl3

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KBr disc

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nujol mull

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