2,3-DIMETHYLNAPHTHALENE(581-40-8) MS

Product Name2,3-DIMETHYLNAPHTHALENE

CAS 581-40-8

Molecular FormulaC12H12

Molecular Weight156.22

InChIInChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3

InChIKey WWGUMAYGTYQSGA-UHFFFAOYSA-N

SmilesC1=C2C(C=CC=C2)=CC(C)=C1C

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Mass

MS-NW-4435          
2,3-dimethylnaphthalene
C12H12              (Mass of molecular ion:    156)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       1.3
      39.0       2.6
      50.0       1.7
      51.0       3.9
      57.5       1.7
      62.0       1.3
      63.0       4.7
      64.0       3.8
      65.0       1.1
      70.5       2.7
      74.0       1.5
      75.0       2.0
      76.0       6.1
      76.5       1.4
      77.0       5.5
      78.0       3.7
      87.0       1.0
      89.0       1.6
     102.0       1.2
     115.0      13.7
     116.0       1.9
     126.0       1.3
     127.0       4.5
     128.0       8.6
     129.0       4.2
     139.0       5.1
     140.0       1.5
     141.0      70.9
     142.0       9.7
     151.0       2.1
     152.0       6.2
     153.0       7.8
     154.0       3.9
     155.0      23.7
     156.0     100.0
     157.0      13.0
     165.0       1.0
     166.0       1.2
     168.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₂	0.044 g : 0.5 ml CDCl₃
2,3-dimethylnaphthalene

    Assign.     Shift(ppm)

      A             7.74
      B             7.61
      C             7.41
      D             2.44

     Hz     ppm     Int.

    699.13   7.807     79
    695.81   7.770     78
    692.94   7.738     86
    689.50   7.699    127
    686.69   7.668     29
    681.25   7.607    229
    670.88   7.491     34
    667.44   7.453    194
    664.38   7.419     91
    661.19   7.383    111
    657.94   7.347    116
    219.13   2.447   1000
    218.69   2.442    965

in CDCl3