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55912-20-4

4-氯-3-硝基苯甲醇(55912-20-4)Raman光谱

分子式:C7H6ClNO3

分子量: 187.58

InChI:InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

InChIKey: QLLRQJDSYJIXTN-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7797          
    4-chloro-3-nitrobenzyl alcohol
    C7H6ClNO3           (Mass of molecular ion:    187)
    

       Source Temperature: 130 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       3.1
          26.0       1.5
          27.0       8.2
          28.0       6.7
          29.0      13.8
          30.0      13.1
          31.0      21.0
          36.0       1.5
          37.0       4.9
          38.0       6.3
          39.0      18.2
          40.0       1.8
          43.0       1.4
          46.0       1.9
          49.0       2.7
          50.0      20.5
          51.0      53.7
          52.0       8.4
          53.0       4.0
          55.0       4.2
          61.0       5.1
          62.0       8.8
          63.0      17.8
          64.0       3.0
          65.0      22.7
          66.0       4.4
          72.0       1.7
          73.0      11.9
          74.0      16.1
          75.0      44.4
          76.0       8.9
          77.0     100.0
          78.0      27.2
          79.0       2.3
          84.0       3.7
          85.0       5.1
          86.0       3.1
          87.0       5.3
          88.0       1.9
          89.0      10.9
          90.0       2.8
          93.0       2.7
          94.0       6.6
          97.0       3.3
          99.0       3.7
         100.0       1.8
         101.0       2.5
         104.0      11.5
         105.0      12.9
         106.0       5.5
         107.0       1.3
         109.0       1.5
         110.0       6.9
         111.0      40.4
         112.0      24.3
         113.0      16.8
         114.0       7.3
         115.0       1.9
         121.0       3.7
         122.0       1.0
         123.0      50.3
         124.0      24.7
         125.0      18.8
         126.0       4.4
         127.0       1.0
         128.0       2.4
         130.0       1.0
         134.0       1.3
         138.0       2.0
         139.0      14.6
         140.0      35.6
         141.0      50.0
         142.0      30.9
         143.0      16.0
         144.0       6.8
         152.0      43.7
         153.0       4.0
         155.0       1.5
         157.0       1.7
         158.0      12.2
         159.0       1.4
         160.0       3.9
         169.0       1.7
         170.0      19.0
         171.0       5.0
         172.0       6.7
         173.0       1.4
         184.0       1.5
         186.0      13.1
         187.0      97.9
         188.0      13.3
         189.0      32.6
         190.0       3.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Cl N O3 0.043 g : 0.5 ml CDCl3
    4-chloro-3-nitrobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.874 B 7.51 C 7.50 D 4.755 E 2.46

         Hz     ppm     Int.
    

       3147.71   7.877    395
       3146.97   7.875    445
       3146.00   7.872    403
       3145.26   7.871    346
       3010.50   7.533    129
       3009.89   7.532    144
       3007.69   7.526     45
       3002.20   7.513   1000
       3001.59   7.511    872
       3000.85   7.509    462
       3000.37   7.508    579
       2999.76   7.506    392
       2999.15   7.505    367
       2998.54   7.503    512
       2992.07   7.487     70
       2991.46   7.486     54
       2990.84   7.484     52
       2990.23   7.483     84
       2989.75   7.481     52
       1901.98   4.760    403
       1899.17   4.753    391
        984.62   2.464    155
    

in CDCl3

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KBr disc

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nujol mull

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