1-Methylnaphthalene(90-12-0) Raman

Product Name1-Methylnaphthalene

CAS 90-12-0

Molecular FormulaC11H10

Molecular Weight142.2

InChIInChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

InChIKey QPUYECUOLPXSFR-UHFFFAOYSA-N

SmilesC1(C)=C2C(C=CC=C2)=CC=C1

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Mass

MS-NW-0055          
1-methylnaphthalene
C11H10              (Mass of molecular ion:    142)

   Source Temperature: 210 °C
   Sample Temperature:  55 °C
   Reservoir, 75 eV

      18.0       1.4
      28.0       1.0
      39.0       2.6
      50.0       1.5
      51.0       2.4
      57.5       5.3
      58.0       1.0
      62.0       1.5
      63.0       4.3
      65.0       1.6
      69.0       1.4
      69.5       3.1
      70.0       3.7
      70.5       3.9
      71.0       6.4
      74.0       1.7
      75.0       1.6
      77.0       1.7
      87.0       1.1
      89.0       3.4
      91.0       4.1
     106.0       1.8
     113.0       1.3
     115.0      21.7
     116.0       2.4
     126.0       1.0
     139.0       8.6
     140.0       2.1
     141.0      78.4
     142.0     100.0
     143.0      11.3
     147.0       4.8
     148.0       4.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₀	55.7 mg : 0.5 ml CDCl₃
1-methylnaphthalene

    Assign.     Shift(ppm)

      A             7.958
      B             7.808
      C             7.672
      D             7.48
      E             7.45
      F             7.336
      G             7.279
      J             2.654
     
     THE SHIFT VALUES OF D,E WERE CALCULATED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3185.42   7.971    112
   3184.20   7.968    124
   3183.23   7.966    105
   3178.47   7.954     63
   3177.37   7.951    113
   3176.39   7.948    136
   3175.66   7.947    130
   3125.85   7.822    120
   3123.54   7.816     80
   3118.16   7.803    167
   3116.33   7.798    135
   3070.56   7.684    124
   3070.07   7.682    124
   3062.50   7.663    138
   3061.89   7.662    139
   2997.92   7.502     66
   2996.34   7.498     79
   2991.09   7.485    163
   2989.50   7.481    146
   2988.16   7.477     66
   2983.40   7.466    330
   2981.32   7.460    317
   2976.44   7.448     74
   2975.46   7.446    140
   2974.00   7.442    148
   2968.63   7.429     69
   2967.16   7.425     55
   2940.06   7.357    124
   2933.11   7.340    205
   2924.93   7.319    194
   2912.84   7.289    132
   2911.74   7.286    173
   2910.77   7.284    131
   2905.88   7.272     76
   2904.91   7.269    101
   2903.81   7.266     71
   1060.55   2.654   1000

in CDCl3