87-85-4

六甲基苯(87-85-4)核磁图(¹HNMR)

产品名称:六甲基苯

CAS:87-85-4

分子式:C12H18

分子量: 162.27

InChI:InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

InChIKey: YUWFEBAXEOLKSG-UHFFFAOYSA-N

Smiles:C1(C)=C(C)C(C)=C(C)C(C)=C1C

Mass

MS-NW-0223          
hexamethylbenzene
C12H18              (Mass of molecular ion:    162)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      27.0       5.3
      29.0       2.6
      39.0       7.6
      40.0       1.0
      41.0       9.3
      50.0       1.2
      51.0       4.1
      52.0       1.6
      53.0       6.1
      55.0       3.1
      63.0       2.5
      64.0       1.1
      65.0       4.7
      66.0       1.1
      67.0       1.3
      77.0       7.4
      78.0       1.9
      79.0       4.3
      81.0       1.1
      91.0      13.7
      92.0       1.6
      93.0       2.5
     103.0       2.5
     105.0       8.3
     106.0       1.4
     107.0       2.4
     108.0       1.1
     115.0       6.2
     116.0       4.4
     117.0       5.9
     118.0       1.4
     119.0       8.3
     120.0       1.4
     127.0       1.1
     128.0       3.8
     129.0       4.0
     130.0       2.6
     131.0       6.1
     132.0       2.2
     133.0       5.0
     145.0       2.4
     146.0       1.1
     147.0     100.0
     148.0      12.2
     161.0       6.3
     162.0      56.8
     163.0       8.0

parameter in CDCl3

¹H NMR	300 MHz
C₁₂ H₁₈	0.040 g : 0.5 ml CDCl₃
hexamethylbenzene

    Parameter     ppm  Hz

      D(A)         2.222

     Hz     ppm     Int.

    666.60   2.222   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,100M,powder

六甲基苯(87-85-4)核磁图(1HNMR)

六甲基苯(87-85-4)核磁图(¹HNMR)