2,4-BIS(CHLOROMETHYL)MESITYLENE(1585-17-7) ¹³C NMR

Product Name2,4-BIS(CHLOROMETHYL)MESITYLENE

CAS 1585-17-7

Molecular FormulaC11H14Cl2

Molecular Weight217.13

InChIInChI=1S/C11H14Cl2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4H,5-6H2,1-3H3

InChIKey JMNDJDCLOQRCJV-UHFFFAOYSA-N

SmilesC1(C)=CC(C)=C(CCl)C(C)=C1CCl

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¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0275          
2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
C11H14Cl2           (Mass of molecular ion:    216)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0       2.0
      36.0       2.0
      39.0       3.7
      41.0       2.0
      50.0       1.0
      51.0       3.9
      52.0       1.1
      53.0       2.3
      58.0       1.2
      63.0       2.2
      64.0       3.1
      65.0       3.0
      70.0       1.1
      70.5       1.9
      71.0       4.8
      72.0       2.3
      72.5       1.8
      77.0       3.5
      78.0       1.0
      79.0       1.0
      89.0       1.0
      90.0       1.6
      91.0       7.0
     103.0       1.4
     105.0       3.4
     115.0       6.8
     116.0       3.2
     117.0       2.4
     127.0       1.8
     128.0       5.2
     129.0       5.1
     130.0       4.6
     131.0       5.6
     132.0       2.0
     145.0      15.8
     146.0       9.2
     147.0       2.3
     180.0       1.1
     181.0     100.0
     182.0      12.6
     183.0      32.7
     184.0       4.0
     216.0      14.9
     217.0       2.2
     218.0       9.7
     219.0       1.3
     220.0       1.7

400 MHz in CDCl3