1-PHENYLHEXANE(1077-16-3) Raman

Product Name1-PHENYLHEXANE

CAS 1077-16-3

Molecular FormulaC12H18

Molecular Weight162.27

InChIInChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3

InChIKey LTEQMZWBSYACLV-UHFFFAOYSA-N

SmilesC1(CCCCCC)=CC=CC=C1

Request For Quotation

1-PHENYLHEXANE(1077-16-3) Raman
Mass

MS-NW-5140          
hexylbenzene
C12H18              (Mass of molecular ion:    162)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       5.2
      29.0       5.6
      39.0       5.5
      41.0       7.6
      42.0       1.3
      43.0      16.6
      50.0       1.0
      51.0       3.4
      52.0       1.0
      55.0       3.6
      56.0       1.2
      63.0       1.7
      65.0       8.8
      71.0       2.0
      77.0       4.9
      78.0       6.4
      79.0       3.6
      82.0       1.3
      83.0       2.0
      89.0       1.4
      91.0     100.0
      92.0      95.1
      93.0       7.7
     103.0       2.2
     104.0       2.8
     105.0      11.2
     106.0       1.9
     115.0       1.3
     117.0       1.2
     119.0       2.9
     133.0       5.4
     162.0      33.2
     163.0       4.8

90 MHz in CDCl3

1-PHENYLHEXANE(1077-16-3) Raman

¹H NMR	89.56 MHz
C₁₂ H₁₈	0.04 ml : 0.5 ml CDCl₃
hexylbenzene

    Assign.     Shift(ppm)

      A          7.25 to 7.19
      B             2.595
      C             1.60
      D             1.31
      E             0.878

     Hz     ppm     Int.

    649.81   7.256    170
    647.50   7.230    134
    645.31   7.206    900
    643.81   7.189   1000
    640.25   7.149    144
    239.75   2.677    117
    232.94   2.601    224
    225.00   2.513    214
    142.00   1.586     95
    116.94   1.306    460
     84.25   0.941    153
     81.56   0.911    132
     81.13   0.906    132
     78.69   0.879    485
     72.81   0.813     98

in CDCl3