4-Propylphenol(645-56-7) IR2

Product Name4-Propylphenol

CAS 645-56-7

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

InChIKey KLSLBUSXWBJMEC-UHFFFAOYSA-N

SmilesC1(O)=CC=C(CCC)C=C1

Request For Quotation

Mass

MS-NW-1571          
p-propylphenol
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       2.7
      39.0       4.2
      41.0       1.5
      50.0       1.0
      51.0       2.8
      52.0       1.3
      53.0       1.9
      55.0       1.3
      63.0       1.3
      65.0       2.1
      77.0       8.6
      78.0       2.2
      79.0       1.8
      91.0       1.5
      94.0       1.0
     107.0     100.0
     108.0       7.5
     136.0      24.8
     137.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O	19.4 mg : 0.5 ml CDCl₃
p-propylphenol

    Assign.     Shift(ppm)

      A             7.034
      B             6.747
      C             4.92
      D             2.507
      E             1.589
      F             0.918

     Hz     ppm     Int.

   2819.09   7.054     30
   2816.28   7.047    312
   2815.67   7.046    249
   2814.09   7.042    125
   2809.81   7.031    120
   2809.20   7.030    101
   2808.23   7.027    265
   2807.62   7.026    393
   2805.30   7.020     61
   2804.81   7.019     66
   2703.74   6.766     47
   2700.93   6.759    463
   2698.73   6.753    163
   2696.04   6.747     33
   2694.46   6.743    139
   2692.26   6.737    413
   2689.45   6.730     64
   1967.53   4.924    203
   1009.77   2.527    178
   1002.32   2.508    231
    996.95   2.495     32
    996.58   2.494     32
    994.51   2.489    204
    655.15   1.640     41
    647.71   1.621    150
    640.26   1.603    213
    639.16   1.600    104
    633.91   1.587     83
    632.69   1.584    242
    631.71   1.581    120
    626.71   1.569     42
    625.12   1.565    163
    617.92   1.547     51
    374.15   0.937    479
    371.70   0.931     36
    366.82   0.918   1000
    362.18   0.907     39
    361.94   0.906     39
    361.08   0.904     44
    359.38   0.900    439

in CDCl3