3-Methylbenzyl bromide(620-13-3) Raman

Product Name3-Methylbenzyl bromide

CAS 620-13-3

Molecular FormulaC8H9Br

Molecular Weight185.06

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

InChIKey FWLWTILKTABGKQ-UHFFFAOYSA-N

SmilesC1(CBr)=CC=CC(C)=C1

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3-Methylbenzyl bromide(620-13-3) Raman
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

3-Methylbenzyl bromide(620-13-3) Raman

¹H NMR	399.65 MHz
C₈ H₉ Br	0.05 ml : 0.5 ml CDCl₃
m-methylbenzene bromide

    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