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返回ChemicalBook首页>CAS数据库列表>124522-09-4更多图谱> 3-溴甲基-7-甲氧基-1,4-苯并恶嗪-2-酮[用于高效液相色谱标记](124522-09-4)红外图谱(IR2)

124522-09-4

3-溴甲基-7-甲氧基-1,4-苯并恶嗪-2-酮[用于高效液相色谱标记](124522-09-4)红外图谱(IR2)

分子式:C10H8BrNO3

分子量: 270.08

InChI:InChI=1S/C10H8BrNO3/c1-14-6-2-3-7-9(4-6)15-10(13)8(5-11)12-7/h2-4H,5H2,1H3

InChIKey: XFCZURAACWKKIH-UHFFFAOYSA-N

Smiles:O1C2=CC(OC)=CC=C2N=C(CBr)C1=O

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    Mass

    MS-IW-4842          
    3-bromomethyl-7-methoxy-1,4-benzoxazin-2-one
    C10H8BrNO3          (Mass of molecular ion:    269)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          38.0       1.1
          39.0       1.6
          50.0       1.4
          51.0       4.7
          52.0       1.7
          62.0       1.1
          63.0       2.7
          64.0       1.7
          65.0       1.3
          69.0       1.2
          76.0       1.5
          77.0       1.6
          79.0       4.4
          91.0       3.4
         103.0       1.0
         106.0       1.4
         107.0       1.3
         119.0       4.2
         120.5       1.2
         121.5       1.2
         132.0       1.3
         134.0       6.2
         147.0       4.5
         148.0       3.2
         162.0      60.9
         163.0       8.1
         190.0     100.0
         191.0      14.7
         192.0       1.6
         269.0      10.6
         270.0       1.3
         271.0      10.5
         272.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H8 Br N O3 0.039 g : 0.5 ml CDCl3
    3-bromomethyl-7-methoxy-1,4-benzoxazin-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.663 B 6.946 C 6.781 D 4.539 E 3.904

         Hz     ppm     Int.
    

       3067.26   7.675    171
       3058.35   7.653    183
       2781.98   6.962    108
       2779.30   6.955    115
       2773.07   6.939    102
       2770.39   6.933    111
       2711.55   6.785    172
       2708.86   6.779    158
       1814.09   4.540    753
       1560.55   3.905   1000
    

KBr disc

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nujol mull

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