1-Chloro-3-phenylpropane(104-52-9) IR1

Product Name1-Chloro-3-phenylpropane

CAS 104-52-9

Molecular FormulaC9H11Cl

Molecular Weight154.64

InChIInChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey XZBXAYCCBFTQHH-UHFFFAOYSA-N

SmilesC1(CCCCl)=CC=CC=C1

Request For Quotation

Mass

MS-NW-9666          
(3-chloropropyl)benzene
C9H11Cl             (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       2.8
      41.0       1.2
      50.0       1.0
      51.0       2.5
      63.0       1.9
      65.0       6.7
      77.0       2.8
      78.0       2.2
      79.0       1.6
      89.0       2.2
      91.0     100.0
      92.0      29.2
      93.0       1.9
     103.0       2.0
     105.0       5.8
     115.0       2.7
     117.0       5.2
     118.0       3.0
     119.0       1.8
     126.0       2.6
     154.0      23.9
     155.0       2.4
     156.0       7.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ Cl	0.05 ml : 0.5 ml CDCl₃
(3-chloropropyl)benzene

    Assign.     Shift(ppm)

      A          7.23 to 7.19
      B             3.478
      C             2.74
      D             2.05

     Hz     ppm     Int.

    662.06   7.393     35
    661.44   7.386     31
    658.88   7.357     52
    657.94   7.347     33
    656.94   7.336     46
    656.06   7.326     75
    653.81   7.301     90
    651.25   7.272    238
    650.25   7.261    201
    649.31   7.251    208
    646.56   7.220   1000
    644.75   7.200    870
    641.81   7.167    229
    640.00   7.147    206
    638.25   7.127    120
    637.19   7.115    116
    634.06   7.080     44
    632.75   7.066     42
    631.44   7.051     37
    318.31   3.555    333
    316.19   3.531     51
    315.75   3.526     50
    311.88   3.483    751
    308.06   3.440     55
    305.44   3.411    414
    253.50   2.831    157
    251.38   2.807     39
    246.81   2.756    378
    245.06   2.737    188
    242.75   2.711     55
    242.31   2.706     55
    239.00   2.669    278
    197.00   2.200     84
    196.00   2.189     87
    190.44   2.127    218
    188.75   2.108    185
    187.00   2.088     49
    183.81   2.053    205
    182.31   2.036    285
    177.63   1.984     86
    175.81   1.964    179
    169.56   1.894     49
    168.38   1.881     45

in CDCl3