1585-16-6

2,4,6-三甲基氯苄(1585-16-6)质谱(MS)

产品名称:2,4,6-三甲基氯苄

CAS:1585-16-6

分子式:C10H13Cl

分子量: 168.66

InChI:InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3

InChIKey: UNRGEIXQCZHICP-UHFFFAOYSA-N

Smiles:C1(C)=CC(C)=CC(C)=C1CCl

Mass

MS-NW-7418          
2,4,6-trimethylbenzyl chloride
C10H13Cl            (Mass of molecular ion:    168)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.3
      39.0       3.7
      41.0       2.5
      50.0       1.1
      51.0       3.4
      52.0       1.1
      53.0       1.6
      57.5       1.0
      63.0       2.0
      64.0       3.2
      64.5       1.1
      65.0       3.4
      77.0       3.8
      78.0       1.2
      79.0       1.4
      91.0       7.7
     103.0       1.7
     105.0       4.7
     115.0       6.1
     116.0       2.7
     117.0       6.8
     118.0       3.3
     119.0       1.6
     131.0       2.1
     132.0       3.0
     133.0     100.0
     134.0      11.3
     168.0      17.2
     169.0       2.1
     170.0       5.7

parameter in CDCl3

400 MHz in CDCl3

¹H NMR	300 MHz
C₁₀ H₁₃ Cl	0.047 g : 0.5 ml CDCl₃
2,4,6-trimethylbenzyl chloride

    Parameter     ppm  Hz

      D(A)         6.852
     
      D(B)         4.633
     
      D(C)         2.376
     
      D(D)         2.251

     Hz     ppm     Int.

   2055.61   6.852    209
   1389.91   4.633    407
    712.78   2.376   1000
    675.34   2.251    441

¹H NMR	399.65 MHz
C₁₀H₁₃Cl	0.038 g : 0.5 ml CDCl₃
2,4,6-trimethylbenzyl chloride

    Assign.     Shift(ppm)

     A           6.857
     B           4.637
     C           2.381
     D           2.256

     Hz     ppm     Int.

   2740.97   6.857    248
   2692.39   6.735      5
   1928.11   4.823      4
   1853.76   4.637    492
   1014.04   2.537      9
    975.47   2.440     10
    951.42   2.380   1000
    925.54   2.316      6
    901.62   2.256    517
    887.33   2.220     12
    837.77   2.096      9

in CDCl3