Neophyl chloride(515-40-2) MS

Product NameNeophyl chloride

CAS 515-40-2

Molecular FormulaC10H13Cl

Molecular Weight168.66

InChIInChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey DNXXUUPUQXSUFH-UHFFFAOYSA-N

SmilesC1(C(C)(C)CCl)=CC=CC=C1

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Neophyl chloride(515-40-2) MS
Mass

MS-NW-8363          
1-chloro-2-methyl-2-phenylpropane
C10H13Cl            (Mass of molecular ion:    168)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      27.0       2.0
      29.0       1.0
      39.0       5.4
      41.0      12.0
      50.0       2.0
      51.0       5.9
      52.0       1.3
      53.0       1.2
      55.0       1.1
      57.5       1.2
      63.0       2.2
      65.0       3.2
      75.0       1.3
      77.0       6.8
      78.0       3.3
      79.0       6.3
      89.0       1.3
      91.0      45.7
      92.0       3.7
     102.0       1.3
     103.0       4.5
     104.0       1.0
     115.0       6.4
     116.0       1.6
     117.0       9.6
     118.0       2.1
     119.0     100.0
     120.0      10.0
     132.0       1.8
     153.0       1.0
     168.0       4.7
     170.0       1.5

400 MHz in CDCl3

Neophyl chloride(515-40-2) MS

¹H NMR	399.65 MHz
C₁₀ H₁₃ Cl	0.05 ml : 0.5 ml CDCl₃
1-chloro-2-methyl-2-phenylpropane

    Assign.     Shift(ppm)

      A             7.343
      B             7.313
      C             7.209
      D             3.611
      E             1.405

     Hz     ppm     Int.

   2941.77   7.361     77
   2940.06   7.357    102
   2937.87   7.352     50
   2935.30   7.345     66
   2933.96   7.342    130
   2932.98   7.339    245
   2931.64   7.336    223
   2929.69   7.331    106
   2928.71   7.329    205
   2926.15   7.322     52
   2923.22   7.315     58
   2921.39   7.310    189
   2919.56   7.306     91
   2915.16   7.295     45
   2913.21   7.290     88
   2888.31   7.228     47
   2886.72   7.224     83
   2885.01   7.219     47
   2881.96   7.212     40
   2879.64   7.206     87
   2877.56   7.201     36
   2872.92   7.189     43
   1443.36   3.612    551
    561.77   1.406   1000

in CDCl3