29665-59-6

4-正十二烷基-2-甲基苯酚(29665-59-6)质谱(MS)

产品名称:4-正十二烷基-2-甲基苯酚

CAS:29665-59-6

分子式:C19H32O

分子量: 276.46

InChI:InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3

InChIKey: RJLWSJUUDKAMPQ-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(CCCCCCCCCCCC)C=C1C

Mass

MS-IW-6477          
4-dodecyl-o-cresol
C19H32O             (Mass of molecular ion:    276)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.7
      29.0       1.0
      41.0       2.1
      43.0       1.8
      55.0       1.5
      77.0       2.1
      91.0       2.3
     107.0       1.3
     108.0       1.1
     120.0       1.3
     121.0     100.0
     122.0      11.4
     134.0       1.8
     276.0      87.5
     277.0      18.6
     278.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₃₂ O	0.039 g : 0.5 ml CDCl₃
4-dodecyl-o-cresol

    Assign.     Shift(ppm)

      A             6.921
      B             6.870
      C             6.670
      D             4.61
      E             2.448
      F             2.219
      G             1.548
      J             1.29
      K             1.25
      L             0.878

     Hz     ppm     Int.

   2767.82   6.926     84
   2766.24   6.922     94
   2750.98   6.884     50
   2748.90   6.879     42
   2742.80   6.864     58
   2740.72   6.858     50
   2669.43   6.680    121
   2661.38   6.660     99
   1842.90   4.612    241
   1002.20   2.508     88
    994.63   2.489    107
    986.69   2.469     92
    887.08   2.220    541
    627.44   1.570     41
    620.12   1.552     56
    615.48   1.541     36
    612.67   1.534     42
    612.43   1.533     42
    518.07   1.297    201
    512.70   1.283    216
    501.46   1.255   1000
    358.15   0.897    112
    351.44   0.880    309
    344.36   0.862    127

in CDCl3