2-METHOXY-5-NITROBENZYL BROMIDE(3913-23-3) ¹H NMR

Product Name2-METHOXY-5-NITROBENZYL BROMIDE

CAS 3913-23-3

Molecular FormulaC8H8BrNO3

Molecular Weight246.06

InChIInChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3

InChIKey JRHMPHMGOGMNDU-UHFFFAOYSA-N

SmilesC1(OC)=CC=C([N+]([O-])=O)C=C1CBr

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Mass

MS-NW-6847          
2-bromomethyl-4-nitroanisole
C8H8BrNO3           (Mass of molecular ion:    245)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0       1.0
      30.0       5.4
      38.0       1.5
      39.0       3.4
      50.0       4.4
      51.0      11.4
      52.0       1.3
      53.0       1.0
      62.0       1.7
      63.0       4.2
      64.0       1.3
      65.0       3.1
      74.0       1.3
      75.0       1.3
      76.0       1.8
      77.0       8.5
      78.0       8.0
      79.0       1.6
      89.0       9.4
      90.0      18.7
      91.0       6.0
      92.0       1.8
      93.0       1.1
     105.0       4.5
     106.0       2.0
     108.0       1.6
     120.0       8.4
     121.0       1.0
     136.0      12.3
     137.0       1.4
     150.0       2.0
     166.0     100.0
     167.0       9.7
     168.0       1.1
     245.0       2.9
     247.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ Br N O₃	0.041 g : 0.5 ml CDCl₃
2-bromomethyl-4-nitroanisole

    Assign.     Shift(ppm)

      A             8.258
      B             8.219
      C             6.971
      D             4.539
      E             4.022

     Hz     ppm     Int.

   3302.25   8.263    134
   3299.44   8.256    186
   3290.41   8.234    124
   3287.60   8.227     80
   3281.37   8.211    117
   3278.56   8.204     91
   2790.65   6.983    144
   2781.62   6.961    140
   1814.09   4.540    584
   1607.67   4.023   1000

in CDCl3