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620-13-3

3-甲基芐溴(620-13-3)Raman光譜

產(chǎn)品名稱:3-甲基芐溴

CAS:620-13-3

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3

InChIKey: FWLWTILKTABGKQ-UHFFFAOYSA-N

Smiles:C1(CBr)=CC=CC(C)=C1

  • 圖譜
    Mass 

    MS-NW-9685          
alpha-bromo-m-xylene
C8H9Br              (Mass of molecular ion:    184)


       Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       1.5
      39.0       2.8
      50.0       1.6
      51.0       6.5
      52.0       2.2
      63.0       2.4
      65.0       1.2
      77.0      10.4
      78.0       3.9
      79.0      12.5
      89.0       1.1
      91.0       1.8
      92.0       1.3
     102.0       1.0
     103.0       9.5
     104.0       4.5
     105.0     100.0
     106.0       9.6
     140.0       1.2
     184.0       9.3
     185.0       1.3
     186.0       9.1

400 MHz in CDCl6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H9 Br 0.05 ml : 0.5 ml CDCl3
    m-methylbenzene bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.183
      B             7.16
      C             7.15
      D             7.064
      E             4.406
      F             2.302
  

         Hz     ppm     Int.


       2880.49   7.208     91
   2873.05   7.189    256
   2865.48   7.170    294
   2862.67   7.163    272
   2862.30   7.163    268
   2859.50   7.156    174
   2857.91   7.152    226
   2849.73   7.131    137
   2826.78   7.074    162
   2819.34   7.055    122
   2818.97   7.054    120
   1760.99   4.407    966
    920.04   2.303   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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