4-N-DODECYLRESORCINOL(24305-56-4) IR1

Product Name4-N-DODECYLRESORCINOL

CAS 24305-56-4

Molecular FormulaC18H30O2

Molecular Weight278.43

InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3

InChIKey JJWVPHWHEGQZOE-UHFFFAOYSA-N

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

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Mass

MS-NW-6338          
4-dodecylresorcinol
C18H30O2            (Mass of molecular ion:    278)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       5.3
      28.0       1.2
      29.0      10.7
      39.0       4.3
      41.0      17.3
      42.0       2.5
      43.0      13.9
      51.0       1.2
      53.0       2.2
      55.0       4.7
      57.0       2.7
      65.0       2.3
      66.0       1.9
      67.0       5.0
      69.0       2.5
      77.0       3.5
      79.0       1.3
      81.0       1.2
      91.0       1.3
      94.0       1.6
      95.0       3.5
     107.0       1.4
     110.0       1.4
     123.0     100.0
     124.0       6.2
     136.0       3.0
     137.0       1.1
     149.0       1.7
     278.0      14.8
     279.0       2.3

400 MHz at 50C

¹H NMR	399.65 MHz
C₁₈ H₃₀ O₂	0.040 g : 0.5 ml CDCl₃ at 50 C
4-dodecylresorcinol

    Assign.     Shift(ppm)

      A             6.925
      B             6.336
      C             6.295
      D     *1      4.82
      E     *1      4.78
      F             2.497
      G             1.556
      J             1.31
      K             1.26
      L             0.878

     Hz     ppm     Int.

   2771.85   6.936     97
   2763.79   6.916    105
   2537.72   6.350     71
   2535.28   6.344     91
   2529.66   6.330     62
   2527.10   6.324     91
   2516.97   6.298    145
   2514.65   6.293    111
   1925.78   4.819     62
   1908.45   4.776     83
   1005.86   2.517     86
    998.29   2.498    106
    990.48   2.479     96
    630.00   1.577     33
    622.80   1.559     53
    615.23   1.540     43
    522.46   1.308    125
    513.67   1.286    102
    503.66   1.261   1000
    358.15   0.897     97
    351.44   0.880    340
    344.48   0.862    126

in CDCl3

KBr disc

nujol mull

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