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33486-90-7

2,6-二氯苄基甲基醚(33486-90-7)质谱(MS)

分子式:C8H8Cl2O

分子量: 191.05

InChI:InChI=1S/C8H8Cl2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3

InChIKey: QBKBHXIQLAMKOB-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1COC

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    Mass

    MS-IW-3475          
    1,3-dichloro-2-(methoxymethyl)benzene
    C8H8Cl2O            (Mass of molecular ion:    190)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.2
          29.0       4.7
          37.0       1.0
          38.0       1.2
          39.0       3.0
          43.0       1.1
          44.0       1.9
          45.0       8.3
          50.0       3.5
          51.0       3.3
          61.0       2.1
          62.0       4.9
          63.0       8.9
          73.0       5.4
          74.0       4.0
          75.0      10.2
          76.0       1.2
          77.0       2.5
          84.0       1.3
          85.0       1.9
          86.0       1.8
          87.0       2.3
          88.0       1.0
          89.0      15.8
          90.0       2.0
          91.0      11.1
          92.0       1.3
          97.0       2.0
          99.0       3.4
         105.0       1.3
         109.0       2.4
         110.0       1.2
         111.0      10.2
         112.0       1.8
         113.0       3.2
         123.0       9.3
         124.0       4.4
         125.0      10.0
         126.0       2.3
         127.0       2.5
         133.0       2.1
         135.0       1.3
         139.0       4.1
         141.0       1.4
         145.0       1.5
         147.0       2.0
         155.0     100.0
         156.0       9.0
         157.0      33.0
         158.0       3.0
         159.0      78.7
         160.0       6.4
         161.0      50.8
         162.0       4.1
         163.0       8.4
         173.0       2.8
         175.0       2.4
         189.0       6.0
         190.0      21.0
         191.0       5.7
         192.0      13.6
         193.0       1.8
         194.0       2.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H8 Cl2 O 0.05 ml : 0.5 ml CDCl3
    1,3-dichloro-2-(methoxymethyl)benzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.286 B 7.145 C 4.704 D 3.421

         Hz     ppm     Int.
    

       2916.14   7.297    307
       2910.89   7.284     31
       2907.96   7.277    440
       2862.55   7.163    200
       2855.10   7.145    173
       2854.00   7.142    163
       2846.44   7.123    122
       1880.25   4.705    675
       1367.43   3.422   1000
    

in CDCl3

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liquid film

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