885-82-5

2-硝基-4-苯基苯酚(885-82-5)核磁圖(¹HNMR)

產(chǎn)品名稱:2-硝基-4-苯基苯酚

CAS:885-82-5

分子式:C12H9NO3

分子量: 215.2

InChI:InChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H

InChIKey: JDDNJJBXFOLPKX-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(O)C([N+]([O-])=O)=C1

Mass

MS-IW-4094          
3-nitro-4-biphenylol
C12H9NO3            (Mass of molecular ion:    215)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.1
      18.0       5.6
      29.0       3.0
      31.0       8.6
      32.0       4.2
      39.0       1.5
      51.0       2.1
      53.0       2.6
      62.0       1.2
      63.0       3.3
      65.0       1.0
      69.0       1.4
      69.5       1.9
      70.0       2.0
      75.0       1.2
      77.0       2.1
      84.0       2.5
      88.0       1.0
      89.0       2.5
      91.0       1.1
     102.0       1.0
     107.5       3.6
     113.0       1.7
     114.0       1.9
     115.0       9.8
     116.0       1.6
     127.0       1.8
     128.0       2.2
     139.0      19.2
     140.0       9.1
     141.0      12.0
     142.0       1.7
     151.0       1.2
     152.0       1.8
     153.0       2.0
     154.0       1.2
     157.0       4.5
     168.0      10.3
     169.0      10.9
     170.0       1.9
     181.0       3.5
     185.0       1.7
     198.0       2.1
     215.0     100.0
     216.0      13.8
     217.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N O₃	0.031 g : 0.5 ml CDCl₃
3-nitro-4-biphenylol

    Assign.     Shift(ppm)

      A            10.58
      B             8.301
      C             7.816
      D             7.539
      E             7.453
      F             7.381
      G             7.225

     Hz     ppm     Int.

   4226.68  10.576   1000
   3319.09   8.305    462
   3316.65   8.299    461
   3129.58   7.831    261
   3127.29   7.826    249
   3120.88   7.810    279
   3118.44   7.803    269
   3020.02   7.557    125
   3019.26   7.555    336
   3017.88   7.552    443
   3015.75   7.546    144
   3012.70   7.539    187
   3012.08   7.537    241
   3010.86   7.534    562
   3010.25   7.533    428
   3009.49   7.531    478
   3007.51   7.526     94
   2987.98   7.477     97
   2987.21   7.475    212
   2986.15   7.472    305
   2984.31   7.468    123
   2981.11   7.460    118
   2979.74   7.456    353
   2979.13   7.455    620
   2977.60   7.451    276
   2972.87   7.439    169
   2971.34   7.435    297
   2970.89   7.434    257
   2969.21   7.430     62
   2956.85   7.399    157
   2955.47   7.396    292
   2954.10   7.392    159
   2950.44   7.383    110
   2948.61   7.378    221
   2948.15   7.377    248
   2945.86   7.372     82
   2942.20   7.362     67
   2940.98   7.359    108
   2939.61   7.356     62
   2892.15   7.237    533
   2883.45   7.215    503

in CDCl3