3-Chlorobenzyl bromide(766-80-3) ¹H NMR

Product Name3-Chlorobenzyl bromide

CAS 766-80-3

Molecular FormulaC7H6BrCl

Molecular Weight205.48

InChIInChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChIKey LZIYAIRGDHSVED-UHFFFAOYSA-N

SmilesC1(CBr)=CC=CC(Cl)=C1

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Mass

MS-NW-8665          
3-chlorobenzyl bromide
C7H6BrCl            (Mass of molecular ion:    204)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      38.0       1.4
      39.0       3.6
      44.0       1.3
      44.5       1.0
      50.0       2.3
      51.0       2.2
      61.0       1.3
      62.0       3.7
      63.0       7.9
      64.0       1.7
      73.0       1.8
      75.0       1.3
      84.0       1.3
      85.0       1.6
      89.0      15.4
      90.0       5.0
      99.0       4.9
     101.0       1.5
     125.0     100.0
     126.0       8.1
     127.0      32.6
     128.0       2.6
     160.0       1.0
     204.0       6.6
     206.0       8.5
     208.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Br Cl	0.05 ml : 0.5 ml CDCl₃
3-chlorobenzyl bromide

    Assign.     Shift(ppm)

      A             7.34
      B          7.23 to 7.20
      C             4.378
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

    660.38   7.374     60
    657.56   7.343    195
    656.56   7.331    135
    655.81   7.323    126
    647.56   7.231   1000
    646.25   7.216    604
    640.06   7.147     26
    392.19   4.380    868

in CDCl3