1-PHENOXY-2-CHLOROPROPANE(53491-30-8) IR1

Product Name1-PHENOXY-2-CHLOROPROPANE

CAS 53491-30-8

Molecular FormulaC9H11ClO

Molecular Weight170.64

InChIInChI=1S/C9H11ClO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChIKey LTRAIWUUCBYXHZ-UHFFFAOYSA-N

SmilesC1(OCC(Cl)C)=CC=CC=C1

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Mass

MS-NW-3324          
(2-chloropropoxy)benzene
C9H11ClO            (Mass of molecular ion:    170)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.1
      38.0       1.3
      39.0       8.5
      40.0       1.5
      41.0      10.6
      50.0       1.4
      51.0       4.8
      55.0       1.0
      63.0       1.7
      65.0       6.0
      66.0       6.3
      77.0      12.1
      78.0       1.2
      79.0       1.9
      94.0     100.0
      95.0       6.8
     107.0       3.4
     121.0       1.7
     170.0      12.4
     171.0       1.3
     172.0       4.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ Cl O	0.04 ml : 0.5 ml CDCl₃
(2-chloropropoxy)benzene

    Assign.     Shift(ppm)

      A             7.27
      B             6.94
      C             6.90
      D             4.25
      E     *1      4.13
      F     *1      3.96
      G             1.611

     Hz     ppm     Int.

    661.44   7.386     95
    660.31   7.373    116
    659.63   7.366     63
    658.38   7.352     75
    656.00   7.325     35
    654.44   7.308    133
    652.75   7.289    328
    651.75   7.278    197
    649.56   7.253     78
    647.19   7.227    172
    646.81   7.223    189
    645.44   7.207    365
    644.63   7.198    261
    643.00   7.180     54
    642.44   7.174     74
    631.50   7.052     76
    630.00   7.035    151
    628.94   7.023    185
    624.69   6.976    117
    622.81   6.955    573
    620.81   6.932    423
    618.69   6.909     68
    616.94   6.889     84
    615.69   6.875    212
    614.00   6.856    300
    613.38   6.849    211
    612.75   6.842    220
    393.13   4.390     60
    387.81   4.331     93
    386.75   4.319     82
    386.44   4.315     83
    381.13   4.256    151
    378.38   4.225     77
    377.19   4.212    123
    375.63   4.195    167
    373.69   4.173     41
    372.44   4.159     55
    368.75   4.118    315
    365.63   4.083     66
    363.44   4.059    395
    362.25   4.045    180
    356.19   3.978    215
    353.44   3.947    132
    346.69   3.872     42
    149.81   1.673     42
    147.50   1.647    991
    145.13   1.621     98
    142.81   1.595     72
    141.06   1.576   1000
    138.44   1.546     57

in CDCl3