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85-15-4

2-甲基-beta-萘并唑(85-15-4)质谱(MS)

产品名称:2-甲基-beta-萘并唑

CAS:85-15-4

分子式:C12H9NO

分子量: 183.21

InChI:InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3

InChIKey: JCTNVNANPZAULC-UHFFFAOYSA-N

Smiles:O1C2=CC=C3C(=C2N=C1C)C=CC=C3

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    Mass

    MS-KW-0162          
    2-methylnaphth(1,2-d)oxazole
    C12H9NO             (Mass of molecular ion:    183)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.5
          43.0       1.0
          50.0       1.5
          51.0       2.2
          57.0       1.2
          62.0       3.3
          63.0       6.2
          64.0       3.7
          71.0       1.5
          74.0       1.7
          75.0       2.4
          76.0       1.3
          76.5       1.2
          77.0       3.5
          77.5       7.3
          78.0       1.1
          86.0       1.7
          87.0       2.6
          88.0       6.6
          91.5       6.8
         101.0       1.2
         113.0       9.6
         114.0      26.7
         115.0       4.8
         127.0       2.9
         128.0      11.1
         129.0       1.7
         140.0       2.0
         153.0       1.2
         154.0      21.0
         155.0      12.1
         156.0       1.4
         182.0      12.9
         183.0     100.0
         184.0      13.5
         185.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H9 N O 0.05 ml : 0.5 ml CDCl3
    2-methylnaphth(1,2-d)oxazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.431 B 7.810 C 7.57 D *1 7.56 E 7.463 F *1 7.411 G 2.576

         Hz     ppm     Int.
    

       3374.88   8.445    133
       3374.15   8.443    128
       3373.66   8.442    134
       3366.58   8.424    138
       3365.84   8.422    135
       3365.36   8.421    140
       3125.00   7.820    138
       3116.82   7.799    150
       3030.64   7.584    218
       3024.78   7.569    132
       3023.56   7.566    193
       3022.09   7.562    274
       3016.48   7.548    103
       3015.26   7.545     99
       2986.33   7.473    334
       2977.42   7.451    240
       2969.73   7.431    115
       2968.38   7.428    119
       2962.77   7.414    105
       2961.43   7.411    178
       2960.21   7.408    116
       2954.59   7.393     85
       2953.25   7.390     86
       1029.79   2.577   1000
    

in CDCl3

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