N-OCTYL PHENYL ETHER(1818-07-1) MS

Product NameN-OCTYL PHENYL ETHER

CAS 1818-07-1

Molecular FormulaC14H22O

Molecular Weight206.32

InChIInChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

InChIKey ZPIRTVJRHUMMOI-UHFFFAOYSA-N

SmilesC1(OCCCCCCCC)=CC=CC=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4060          
(octyloxy)benzene
C14H22O             (Mass of molecular ion:    206)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.3
      29.0       3.6
      39.0       1.6
      41.0       8.3
      42.0       1.7
      43.0      11.4
      51.0       1.0
      55.0       6.3
      56.0       2.6
      57.0       8.7
      65.0       2.0
      66.0       1.5
      69.0       3.4
      70.0       3.0
      71.0       4.7
      77.0       5.3
      79.0       1.0
      83.0       1.8
      94.0     100.0
      95.0       8.2
     107.0       1.8
     206.0      13.5
     207.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
(octyloxy)benzene

    Assign.     Shift(ppm)

      A             7.247
      B             6.90
      C             6.88
      D             3.915
      E             1.758
      F             1.441
      G             1.32
      J             1.28
      K             0.885

     Hz     ppm     Int.

   2907.10   7.275     54
   2904.79   7.269    376
   2902.59   7.263    135
   2899.78   7.256     74
   2897.46   7.250    524
   2896.00   7.247    506
   2893.68   7.241     85
   2890.75   7.234    165
   2888.79   7.229    466
   2886.35   7.223     72
   2766.85   6.924    112
   2765.87   6.921    212
   2764.77   6.918    150
   2758.54   6.903    377
   2757.57   6.900    249
   2755.49   6.895    111
   2753.30   6.890    524
   2752.20   6.887    622
   2751.34   6.885    438
   2750.12   6.882    264
   2746.58   6.873    174
   2745.48   6.870    279
   2744.51   6.868    536
   2743.53   6.865    420
   2740.97   6.859     72
   1571.53   3.933    467
   1564.94   3.916    908
   1558.35   3.900    483
    717.29   1.795     95
    710.69   1.779    258
    703.61   1.761    297
    702.27   1.758    232
    695.68   1.741    296
    689.09   1.725    130
    589.84   1.476     47
    583.25   1.460    128
    581.67   1.456    121
    576.17   1.442    193
    567.99   1.422    160
    561.04   1.404     76
    549.80   1.376     42
    541.50   1.355    120
    539.79   1.351    129
    531.37   1.330    308
    527.71   1.321    350
    523.56   1.311    487
    518.31   1.297    430
    514.89   1.289    445
    512.33   1.282    543
    361.21   0.904    319
    359.13   0.899    232
    354.37   0.887   1000
    347.29   0.869    395

in CDCl3