2,6-DICHLOROBENZYL METHYL ETHER(33486-90-7) MS

Product Name2,6-DICHLOROBENZYL METHYL ETHER

CAS 33486-90-7

Molecular FormulaC8H8Cl2O

Molecular Weight191.05

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

InChIKey QBKBHXIQLAMKOB-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC(Cl)=C1COC

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¹HNMR

¹³CNMR

IR1

2,6-DICHLOROBENZYL METHYL ETHER(33486-90-7) MS
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

2,6-DICHLOROBENZYL METHYL ETHER(33486-90-7) MS

¹H NMR	399.65 MHz
C₈ H₈ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
1,3-dichloro-2-(methoxymethyl)benzene

    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