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100-27-6

对硝基苯乙醇(100-27-6)核磁图(1HNMR)

产品名称:对硝基苯乙醇

CAS:100-27-6

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2

InChIKey: IKMXRUOZUUKSON-UHFFFAOYSA-N

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

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    Mass

    MS-IW-0702          
    4-nitrophenethyl alcohol
    C8H9NO3             (Mass of molecular ion:    167)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.5
          28.0       1.4
          30.0       4.4
          31.0      13.0
          39.0       3.3
          41.0       1.0
          50.0       1.5
          51.0       3.4
          52.0       1.0
          63.0       3.5
          64.0       1.4
          65.0       6.3
          77.0      11.7
          78.0       6.2
          79.0       2.1
          89.0      10.3
          90.0      27.0
          91.0      21.0
          92.0       2.1
         102.0       1.1
         103.0       2.1
         106.0       4.5
         107.0      13.3
         108.0       1.1
         120.0      11.9
         121.0       3.2
         136.0       2.4
         137.0     100.0
         138.0       8.2
         151.0       1.0
         167.0      39.9
         168.0       4.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 N O3 0.038 g : 0.5 ml CDCl3
    4-nitrophenethyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.144 B 7.406 C 3.914 D 2.972 E 2.00

         Hz     ppm     Int.
    

       3261.84   8.162    134
       3259.40   8.156    971
       3257.45   8.151    312
       3252.69   8.139    340
       3250.73   8.134   1000
       3248.29   8.128    140
       2966.67   7.424    130
       2964.23   7.418    872
       2962.28   7.413    271
       2957.40   7.400    290
       2955.44   7.396    789
       2953.00   7.389    111
       1573.24   3.937    150
       1566.89   3.921    338
       1562.01   3.909    347
       1555.79   3.893    167
       1194.09   2.988    516
       1187.62   2.972    971
       1181.15   2.956    488
        798.10   1.997    115
        793.33   1.986    296
        788.57   1.974    118
    

in CDCl3

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KBr disc

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nujol mull

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