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2603-10-3

N-苯基香豆甲酯(2603-10-3)红外图谱(IR2)

产品名称:N-苯基香豆甲酯

CAS:2603-10-3

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N

Smiles:C(OC)(=O)NC1=CC=CC=C1

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    Mass

    MS-NW-8016          
    methyl phenylcarbamate
    C8H9NO2             (Mass of molecular ion:    151)
    

       Source Temperature: 130 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0      22.5
          18.0       4.6
          26.0       1.0
          27.0       3.0
          28.0       2.6
          29.0       4.0
          30.0       2.1
          31.0       5.4
          32.0       2.8
          37.0       3.7
          38.0       8.8
          39.0      26.1
          40.0       3.2
          41.0       3.0
          50.0       5.3
          51.0      12.3
          52.0       5.2
          53.0       1.1
          59.0      19.5
          61.0       1.5
          62.0       2.9
          63.0      11.3
          64.0      15.6
          65.0      45.8
          66.0       5.7
          74.0       1.4
          76.0       1.3
          77.0      22.0
          78.0       4.8
          79.0      12.3
          80.0       3.8
          90.0       2.2
          91.0      20.8
          92.0      33.5
          93.0       7.4
          94.0       6.0
         104.0       1.0
         106.0      75.5
         107.0       7.5
         108.0       1.2
         119.0      54.7
         120.0      12.5
         121.0       1.3
         135.0       2.8
         150.0       1.2
         151.0     100.0
         152.0      12.0
         153.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 N O2 0.033 g : 0.5 ml CDCl3
    methyl phenylcarbamate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.380 B 7.295 C 7.058 D 6.79 E 3.765

         Hz     ppm     Int.
    

       2954.47   7.393     73
       2946.53   7.373    111
       2924.80   7.319     29
       2923.22   7.315    174
       2921.02   7.309     54
       2915.77   7.296    212
       2909.06   7.280     54
       2907.23   7.275    133
       2905.27   7.270     21
       2828.98   7.079     44
       2827.76   7.076     72
       2826.54   7.073     41
       2820.43   7.058    121
       2814.21   7.042     31
       2813.11   7.039     54
       2811.89   7.036     35
       2714.60   6.793     31
       1504.64   3.765   1000
    

in CDCl3

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KBr disc

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nujol mull

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