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

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

¹H NMR	399.65 MHz
C₁₂ H₁₀ O	13 mg : 0.5 ml CDCl₃
1-acenaphthenol

    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